(E)-3-(4-methylphenyl)-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[[2-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[2-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCC3

InChI

InChI=1S/C23H25N3O2S/c1-17-9-11-18(12-10-17)13-14-21(27)25-23(29)24-20-8-4-3-7-19(20)22(28)26-15-5-2-6-16-26/h3-4,7-14H,2,5-6,15-16H2,1H3,(H2,24,25,27,29)/b14-13+