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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-[(4-ethylphenyl)methyl]-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethylbenzyl)pyrrole-2-carboxamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

InChI

InChI=1S/C22H27N5OS/c1-2-17-9-11-18(12-10-17)16-23-20(28)19-8-7-15-27(19)22-25-24-21(29-22)26-13-5-3-4-6-14-26/h7-12,15H,2-6,13-14,16H2,1H3,(H,23,28)