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

Systemtic Name: (E)-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-[[4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(4-methylpiperidino)phenyl]thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H31N3OS/c1-18(2)21-7-4-20(5-8-21)6-13-24(29)27-25(30)26-22-9-11-23(12-10-22)28-16-14-19(3)15-17-28/h4-13,18-19H,14-17H2,1-3H3,(H2,26,27,29,30)/b13-6+