4-[2-(4-methoxyphenyl)sulfanyl-1-phenyl-ethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one

Systemtic Name: 4-[2-(4-methoxyphenyl)sulfanyl-1-phenyl-ethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one Openeye Name: 1-isobutyl-4-[2-(4-methoxyphenyl)sulfanyl-1-phenyl-ethyl]-1,4-diazepan-5-one CAS Name: 4-[2-[(4-methoxyphenyl)thio]-1-phenylethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one IUPAC Name: 4-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one Traditional Name: 1-isobutyl-4-[2-[(4-methoxyphenyl)thio]-1-phenyl-ethyl]-1,4-diazepan-5-one Formula: C24H32N2O2S MolecularWeight: 412.58808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=O)N(CC1)C(CSC2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN1CCC(=O)N(CC1)C(CSC2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2S/c1-19(2)17-25-14-13-24(27)26(16-15-25)23(20-7-5-4-6-8-20)18-29-22-11-9-21(28-3)10-12-22/h4-12,19,23H,13-18H2,1-3H3