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

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C24H28ClN3OS MolecularWeight: 442.01662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

InChI

InChI=1S/C24H28ClN3OS/c1-17(2)19-12-9-18(10-13-19)11-14-22(29)27-24(30)26-21-8-6-7-20(25)23(21)28-15-4-3-5-16-28/h6-14,17H,3-5,15-16H2,1-2H3,(H2,26,27,29,30)