(2R)-2-(3,4-dimethylphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-(3,4-dimethylphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(3,4-dimethylphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[(3,4-dimethylphenyl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2R)-2-(3,4-dimethylphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[(3,4-dimethylphenyl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C21H26N2OS MolecularWeight: 354.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2OS/c1-16-9-10-20(15-17(16)2)25-18(3)21(24)23-13-11-22(12-14-23)19-7-5-4-6-8-19/h4-10,15,18H,11-14H2,1-3H3/t18-/m1/s1