N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester (Q27192528)

MLS000756633 (English)

11 October 2016

chemical formula

C₁₆H₂₁N₃O₂S

1 reference

MLS000756633 (English)

11 October 2016

canonical SMILES

CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCCCCC3

1 reference

MLS000756633 (English)

InChI=1S/C16H21N3O2S/c1-2-21-16(20)17-12-7-8-13-14(11-12)22-15(18-13)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,17,20)

11 October 2016

Identifiers

InChI

1 reference

MLS000756633 (English)

ULJXJASKIKRWKU-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

MLS000756633 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Ethyl [2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamate (English)

11 October 2016

2 references

MLS000756633 (English)

matched by identifier from

11 October 2016

InChIKey

ULJXJASKIKRWKU-UHFFFAOYSA-N

ChEBI ID

112424

mapping relation type

2 references

N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H21N3O2S/c1-2-21-16(20)17-12-7-8-13-14(11-12)22-15(18-13)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,17,20)

1 reference