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

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[(2-methyl-5-quinolyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[(2-methyl-5-quinolyl)thiocarbamoyl]acrylamide Formula: C20H16ClN3OS MolecularWeight: 381.87854

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3OS/c1-13-5-11-16-17(22-13)3-2-4-18(16)23-20(26)24-19(25)12-8-14-6-9-15(21)10-7-14/h2-12H,1H3,(H2,23,24,25,26)/b12-8+