N-[4-methylsulfanyl-1-oxidanylidene-1-[4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]butan-2-yl]benzamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-[4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]butan-2-yl]benzamide Openeye Name: N-[3-methylsulfanyl-1-[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carbonyl]propyl]benzamide CAS Name: N-[4-(methylthio)-1-oxo-1-[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]butan-2-yl]benzamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]butan-2-yl]benzamide Traditional Name: N-[1-[4-[2-keto-2-(phenethylamino)ethyl]-1,4-diazepane-1-carbonyl]-3-(methylthio)propyl]benzamide Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCN(CC1)CC(=O)NCCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)N1CCCN(CC1)CC(=O)NCCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H36N4O3S/c1-35-20-14-24(29-26(33)23-11-6-3-7-12-23)27(34)31-17-8-16-30(18-19-31)21-25(32)28-15-13-22-9-4-2-5-10-22/h2-7,9-12,24H,8,13-21H2,1H3,(H,28,32)(H,29,33)