N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]acrylamide Formula: C21H21Cl2N3OS MolecularWeight: 434.38194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21Cl2N3OS/c22-16-10-7-15(8-11-16)9-12-19(27)25-21(28)24-18-6-4-5-17(23)20(18)26-13-2-1-3-14-26/h4-12H,1-3,13-14H2,(H2,24,25,27,28)