(E)-3-(furan-2-yl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(furan-2-yl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]acrylamide Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C19H22N4O2S/c1-22-10-12-23(13-11-22)16-6-4-15(5-7-16)20-19(26)21-18(24)9-8-17-3-2-14-25-17/h2-9,14H,10-13H2,1H3,(H2,20,21,24,26)/p+1/b9-8+