4-[1-(4-methoxyphenyl)sulfanyl-4-methyl-pentan-2-yl]-1-phenethyl-1,4-diazepan-5-one

Systemtic Name: 4-[1-(4-methoxyphenyl)sulfanyl-4-methyl-pentan-2-yl]-1-phenethyl-1,4-diazepan-5-one Openeye Name: 4-[1-[(4-methoxyphenyl)sulfanylmethyl]-3-methyl-butyl]-1-phenethyl-1,4-diazepan-5-one CAS Name: 4-[1-[(4-methoxyphenyl)thio]-4-methylpentan-2-yl]-1-phenethyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(4-methoxyphenyl)sulfanyl-4-methylpentan-2-yl]-1-phenethyl-1,4-diazepan-5-one Traditional Name: 4-[1-[[(4-methoxyphenyl)thio]methyl]-3-methyl-butyl]-1-phenethyl-1,4-diazepan-5-one Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC1=CC=C(C=C1)OC)N2CCN(CCC2=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(CSC1=CC=C(C=C1)OC)N2CCN(CCC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H36N2O2S/c1-21(2)19-23(20-31-25-11-9-24(30-3)10-12-25)28-18-17-27(16-14-26(28)29)15-13-22-7-5-4-6-8-22/h4-12,21,23H,13-20H2,1-3H3