N-(2,3-dimethylphenyl)-2-[[6-(1,3-dioxo-2-isoindolyl)-1,3-benzothiazol-2-yl]thio]acetamide (Q27210632)

SMR000193743 (English)

11 October 2016

chemical formula

C₂₅H₁₉N₃O₃S₂

1 reference

SMR000193743 (English)

11 October 2016

canonical SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C

1 reference

SMR000193743 (English)

InChI=1S/C25H19N3O3S2/c1-14-6-5-9-19(15(14)2)26-22(29)13-32-25-27-20-11-10-16(12-21(20)33-25)28-23(30)17-7-3-4-8-18(17)24(28)31/h3-12H,13H2,1-2H3,(H,26,29)

11 October 2016

Identifiers

InChI

1 reference

SMR000193743 (English)

QMJJTVUQQJHHJU-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

SMR000193743 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-(2,3-Dimethylphenyl)-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide (English)

11 October 2016

2 references

SMR000193743 (English)

matched by identifier from

11 October 2016

InChIKey

QMJJTVUQQJHHJU-UHFFFAOYSA-N

ChEBI ID

122006

mapping relation type

2 references

N-(2,3-dimethylphenyl)-2-[[6-(1,3-dioxo-2-isoindolyl)-1,3-benzothiazol-2-yl]thio]acetamide (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C25H19N3O3S2/c1-14-6-5-9-19(15(14)2)26-22(29)13-32-25-27-20-11-10-16(12-21(20)33-25)28-23(30)17-7-3-4-8-18(17)24(28)31/h3-12H,13H2,1-2H3,(H,26,29)

1 reference