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

Systemtic Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methyl-5-quinolyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2,4-dichlorophenyl)-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methyl-5-quinolyl)thiocarbamoyl]acrylamide Formula: C20H15Cl2N3OS MolecularWeight: 416.3236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15Cl2N3OS/c1-12-5-9-15-17(23-12)3-2-4-18(15)24-20(27)25-19(26)10-7-13-6-8-14(21)11-16(13)22/h2-11H,1H3,(H2,24,25,26,27)/b10-7+