1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxamide

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-homoveratryl-pyrrole-2-carboxamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4)OC

InChI

InChI=1S/C23H29N5O3S/c1-30-19-10-9-17(16-20(19)31-2)11-12-24-21(29)18-8-7-15-28(18)23-26-25-22(32-23)27-13-5-3-4-6-14-27/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,24,29)