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

Systemtic Name: (E)-3-(furan-2-yl)-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]acrylamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C21H23N3O3S/c1-15-10-12-24(13-11-15)20(26)17-6-2-3-7-18(17)22-21(28)23-19(25)9-8-16-5-4-14-27-16/h2-9,14-15H,10-13H2,1H3,(H2,22,23,25,28)/b9-8+