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

Systemtic Name: (E)-3-(4-bromophenyl)-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)acrylamide Formula: C15H19BrN3OS+ MolecularWeight: 369.29986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN3OS/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+