3-(4-chlorophenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]butan-1-one CAS Name: 3-[(4-chlorophenyl)thio]-1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3-[(4-chlorophenyl)thio]-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]butan-1-one Formula: C20H27ClN4OS MolecularWeight: 406.97258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCCN(CC1)CC2=NC=CN2C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(CC(=O)N1CCCN(CC1)CC2=NC=CN2C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4OS/c1-16(27-18-6-4-17(21)5-7-18)14-20(26)25-10-3-9-24(12-13-25)15-19-22-8-11-23(19)2/h4-8,11,16H,3,9-10,12-15H2,1-2H3