N-[4-[2-[4-(2-methylpropyl)-7-oxidanylidene-1,4-diazepan-1-yl]-3-phenyl-propyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[2-[4-(2-methylpropyl)-7-oxidanylidene-1,4-diazepan-1-yl]-3-phenyl-propyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-(4-isobutyl-7-oxo-1,4-diazepan-1-yl)-3-phenyl-propyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[2-[4-(2-methylpropyl)-7-oxo-1,4-diazepan-1-yl]-3-phenylpropyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-[4-(2-methylpropyl)-7-oxo-1,4-diazepan-1-yl]-3-phenylpropyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(4-isobutyl-7-keto-1,4-diazepan-1-yl)-3-phenyl-propyl]thio]phenyl]acetamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)CN1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C26H35N3O2S/c1-20(2)18-28-14-13-26(31)29(16-15-28)24(17-22-7-5-4-6-8-22)19-32-25-11-9-23(10-12-25)27-21(3)30/h4-12,20,24H,13-19H2,1-3H3,(H,27,30)