4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]-N-[2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]-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:

C1CN(CCN(C1)C(=O)NCCC2=CC=CS2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCCC2=CC=CS2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c26-20(23-16-18-6-2-1-3-7-18)17-24-11-5-12-25(14-13-24)21(27)22-10-9-19-8-4-15-28-19/h1-4,6-8,15H,5,9-14,16-17H2,(H,22,27)(H,23,26)