2-(4-chlorophenyl)sulfanyl-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-[(4-chlorophenyl)thio]-1-(4-p-anisyl-1,4-diazepan-1-yl)propan-1-one Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)OC)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)OC)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O2S/c1-17(28-21-10-6-19(23)7-11-21)22(26)25-13-3-12-24(14-15-25)16-18-4-8-20(27-2)9-5-18/h4-11,17H,3,12-16H2,1-2H3