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

Systemtic Name: (E)-3-(2-chlorophenyl)-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-chlorophenyl)-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-chlorophenyl)-N-[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-chlorophenyl)-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-chlorophenyl)-N-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]acrylamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClN3O2S/c23-19-10-3-2-7-16(19)11-12-20(27)25-22(29)24-18-9-6-8-17(15-18)21(28)26-13-4-1-5-14-26/h2-3,6-12,15H,1,4-5,13-14H2,(H2,24,25,27,29)/b12-11+