N-(2-methylsulfanylphenyl)-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[2-(isopropylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: N-[2-(methylthio)phenyl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide Traditional Name: 2-[4-[2-(isopropylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]-N-[2-(methylthio)phenyl]acetamide Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C19H30N4O2S/c1-15(2)20-18(24)13-22-9-6-10-23(12-11-22)14-19(25)21-16-7-4-5-8-17(16)26-3/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,20,24)(H,21,25)