(E)-N-[4-(4-fluorophenyl)piperazin-1-yl]carbothioyl-3-(4-methylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-(4-fluorophenyl)piperazin-1-yl]carbothioyl-3-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-3-(p-tolyl)acrylamide Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3OS/c1-16-2-4-17(5-3-16)6-11-20(26)23-21(27)25-14-12-24(13-15-25)19-9-7-18(22)8-10-19/h2-11H,12-15H2,1H3,(H,23,26,27)/b11-6+