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

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[[2-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[[2-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]acrylamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O2S/c23-17-11-8-16(9-12-17)10-13-20(27)25-22(29)24-19-7-3-2-6-18(19)21(28)26-14-4-1-5-15-26/h2-3,6-13H,1,4-5,14-15H2,(H2,24,25,27,29)/b13-10+