(E)-3-(4-methoxyphenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[(2-methyl-5-quinolyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-[(2-methyl-5-quinolyl)thiocarbamoyl]acrylamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H19N3O2S/c1-14-6-12-17-18(22-14)4-3-5-19(17)23-21(27)24-20(25)13-9-15-7-10-16(26-2)11-8-15/h3-13H,1-2H3,(H2,23,24,25,27)/b13-9+