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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS/c22-17-7-4-16(5-8-17)6-13-20(26)24-21(27)23-18-9-11-19(12-10-18)25-14-2-1-3-15-25/h4-13H,1-3,14-15H2,(H2,23,24,26,27)/b13-6+