(E)-3-(4-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-prop-2-enamide Openeye Name: (E)-N-(4-methylpiperazin-4-ium-1-carbothioyl)-3-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)prop-2-enamide Traditional Name: (E)-N-(4-methylpiperazin-4-ium-1-carbothioyl)-3-(p-tolyl)acrylamide Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H21N3OS/c1-13-3-5-14(6-4-13)7-8-15(20)17-16(21)19-11-9-18(2)10-12-19/h3-8H,9-12H2,1-2H3,(H,17,20,21)/p+1/b8-7+