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

Systemtic Name: (E)-3-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)acrylamide Formula: C15H19FN3OS+ MolecularWeight: 308.394263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C15H18FN3OS/c1-18-8-10-19(11-9-18)15(21)17-14(20)7-4-12-2-5-13(16)6-3-12/h2-7H,8-11H2,1H3,(H,17,20,21)/p+1/b7-4+