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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS/c22-17-10-7-11-18(20(17)25-14-5-2-6-15-25)23-21(27)24-19(26)13-12-16-8-3-1-4-9-16/h1,3-4,7-13H,2,5-6,14-15H2,(H2,23,24,26,27)