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

Systemtic Name: 4-[1-(4-bromophenyl)sulfanyl-4-methyl-pentan-2-yl]-1-propyl-1,4-diazepan-5-one Openeye Name: 4-[1-[(4-bromophenyl)sulfanylmethyl]-3-methyl-butyl]-1-propyl-1,4-diazepan-5-one CAS Name: 4-[1-[(4-bromophenyl)thio]-4-methylpentan-2-yl]-1-propyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(4-bromophenyl)sulfanyl-4-methylpentan-2-yl]-1-propyl-1,4-diazepan-5-one Traditional Name: 4-[1-[[(4-bromophenyl)thio]methyl]-3-methyl-butyl]-1-propyl-1,4-diazepan-5-one Formula: C20H31BrN2OS MolecularWeight: 427.44194

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H31BrN2OS/c1-4-10-22-11-9-20(24)23(13-12-22)18(14-16(2)3)15-25-19-7-5-17(21)6-8-19/h5-8,16,18H,4,9-15H2,1-3H3