(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[4-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C25H29N3O3S/c1-3-31-22-11-4-19(5-12-22)6-13-23(29)27-25(32)26-21-9-7-20(8-10-21)24(30)28-16-14-18(2)15-17-28/h4-13,18H,3,14-17H2,1-2H3,(H2,26,27,29,32)/b13-6+