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

Systemtic Name: 4-[1-(4-methoxyphenyl)sulfanyl-4-methyl-pentan-2-yl]-1-propyl-1,4-diazepan-5-one Openeye Name: 4-[1-[(4-methoxyphenyl)sulfanylmethyl]-3-methyl-butyl]-1-propyl-1,4-diazepan-5-one CAS Name: 4-[1-[(4-methoxyphenyl)thio]-4-methylpentan-2-yl]-1-propyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(4-methoxyphenyl)sulfanyl-4-methylpentan-2-yl]-1-propyl-1,4-diazepan-5-one Traditional Name: 4-[1-[[(4-methoxyphenyl)thio]methyl]-3-methyl-butyl]-1-propyl-1,4-diazepan-5-one Formula: C21H34N2O2S MolecularWeight: 378.57186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O2S/c1-5-11-22-12-10-21(24)23(14-13-22)18(15-17(2)3)16-26-20-8-6-19(25-4)7-9-20/h6-9,17-18H,5,10-16H2,1-4H3