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

Systemtic Name: 4-[4-methyl-1-(4-methylphenyl)sulfanyl-pentan-2-yl]-1-propyl-1,4-diazepan-5-one Openeye Name: 4-[3-methyl-1-(p-tolylsulfanylmethyl)butyl]-1-propyl-1,4-diazepan-5-one CAS Name: 4-[4-methyl-1-[(4-methylphenyl)thio]pentan-2-yl]-1-propyl-1,4-diazepan-5-one IUPAC Name: 4-[4-methyl-1-(4-methylphenyl)sulfanylpentan-2-yl]-1-propyl-1,4-diazepan-5-one Traditional Name: 4-[3-methyl-1-[(p-tolylthio)methyl]butyl]-1-propyl-1,4-diazepan-5-one Formula: C21H34N2OS MolecularWeight: 362.57246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=O)N(CC1)C(CC(C)C)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCCN1CCC(=O)N(CC1)C(CC(C)C)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C21H34N2OS/c1-5-11-22-12-10-21(24)23(14-13-22)19(15-17(2)3)16-25-20-8-6-18(4)7-9-20/h6-9,17,19H,5,10-16H2,1-4H3