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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)carbothioyl-prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-carbothioyl)acrylamide Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-18-9-11-19(12-10-18)16(22)17-15(20)8-5-13-3-6-14(21-2)7-4-13/h3-8H,9-12H2,1-2H3,(H,17,20,22)/p+1/b8-5+