N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide (Q27464832)

CHEMBL2442067 (English)

19 October 2016

chemical formula

C₂₂H₂₁N₅O₂S

1 reference

CHEMBL2442067 (English)

19 October 2016

canonical SMILES

CCC(=O)NC1=CC=C(C=C1)N(CC2=CSC=C2)C(=O)CN3C4=CC=CC=C4N=N3

1 reference

CHEMBL2442067 (English)

InChI=1S/C22H21N5O2S/c1-2-21(28)23-17-7-9-18(10-8-17)26(13-16-11-12-30-15-16)22(29)14-27-20-6-4-3-5-19(20)24-25-27/h3-12,15H,2,13-14H2,1H3,(H,23,28)

19 October 2016

Identifiers

InChI

1 reference

CHEMBL2442067 (English)

TWIVXCFEBRGEKY-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

CHEMBL2442067 (English)

19 October 2016

1 reference

N-{4-[(1H-Benzotriazol-1-ylacetyl)(3-thienylmethyl)amino]phenyl}propanamide (English)

19 October 2016

2 references

CHEMBL2442067 (English)

matched by identifier from

19 October 2016

InChIKey

TWIVXCFEBRGEKY-UHFFFAOYSA-N

ChEBI ID

149680

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C22H21N5O2S/c1-2-21(28)23-17-7-9-18(10-8-17)26(13-16-11-12-30-15-16)22(29)14-27-20-6-4-3-5-19(20)24-25-27/h3-12,15H,2,13-14H2,1H3,(H,23,28)

1 reference

CHEMBL2442067 (English)

19 October 2016

1 reference

0 references

1 reference

4YLU (English)