N-[4-[[4-(2-acetamido-3-phenylsulfanyl-propanoyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-acetamido-3-phenylsulfanyl-propanoyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2-acetamido-3-phenylsulfanyl-propanoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[2-acetamido-1-oxo-3-(phenylthio)propyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2-acetamido-3-phenylsulfanylpropanoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[2-acetamido-3-(phenylthio)propanoyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(CSC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(CSC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C25H32N4O3S/c1-19(30)26-22-11-9-21(10-12-22)17-28-13-6-14-29(16-15-28)25(32)24(27-20(2)31)18-33-23-7-4-3-5-8-23/h3-5,7-12,24H,6,13-18H2,1-2H3,(H,26,30)(H,27,31)