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

Systemtic Name: 3-(4-chlorophenyl)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-[[2-(1-piperidyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[(2-piperidinophenyl)thiocarbamoyl]acrylamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS/c22-17-11-8-16(9-12-17)10-13-20(26)24-21(27)23-18-6-2-3-7-19(18)25-14-4-1-5-15-25/h2-3,6-13H,1,4-5,14-15H2,(H2,23,24,26,27)