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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1CCCCN1C2=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)21-10-7-20(8-11-21)9-16-24(29)27-25(30)26-22-12-14-23(15-13-22)28-17-5-4-6-19(28)3/h7-16,18-19H,4-6,17H2,1-3H3,(H2,26,27,29,30)/b16-9+