(E)-3-(4-methylphenyl)-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C23H25N3O2S/c1-17-8-10-18(11-9-17)12-13-21(27)25-23(29)24-20-7-5-6-19(16-20)22(28)26-14-3-2-4-15-26/h5-13,16H,2-4,14-15H2,1H3,(H2,24,25,27,29)/b13-12+