[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[4-[(methylthio)methyl]phenyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[4-[(methylthio)methyl]phenyl]methanone Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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