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

Systemtic Name: (E)-3-(furan-2-yl)-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]acrylamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C20H22N4O3S/c1-23-10-12-24(13-11-23)19(26)16-6-2-3-7-17(16)21-20(28)22-18(25)9-8-15-5-4-14-27-15/h2-9,14H,10-13H2,1H3,(H2,21,22,25,28)/b9-8+