(E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfanylphenyl)-1-[4-(o-tolyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(2-methylphenyl)-1-piperazinyl]-3-[4-(methylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-(methylthio)phenyl]-1-[4-(o-tolyl)piperazino]prop-2-en-1-one Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H24N2OS/c1-17-5-3-4-6-20(17)22-13-15-23(16-14-22)21(24)12-9-18-7-10-19(25-2)11-8-18/h3-12H,13-16H2,1-2H3/b12-9+