4-[(4-acetamidophenyl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(4-acetamidophenyl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-acetamidophenyl)methyl]-N-[2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-acetamidophenyl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-acetamidophenyl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-acetamidobenzyl)-N-[2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NCCC3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H28N4O2S/c1-17(26)23-19-7-5-18(6-8-19)16-24-11-3-12-25(14-13-24)21(27)22-10-9-20-4-2-15-28-20/h2,4-8,15H,3,9-14,16H2,1H3,(H,22,27)(H,23,26)