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

Systemtic Name: (E)-3-(4-methylphenyl)-N-[(4-piperidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[4-(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=C(C=C2)C(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c1-17-5-7-18(8-6-17)9-14-21(27)25-23(29)24-20-12-10-19(11-13-20)22(28)26-15-3-2-4-16-26/h5-14H,2-4,15-16H2,1H3,(H2,24,25,27,29)/b14-9+