4-methyl-N-[(2-methylquinolin-5-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[(2-methylquinolin-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[(2-methyl-5-quinolyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[(2-methylquinolin-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[(2-methyl-5-quinolyl)thiocarbamoyl]-3-nitro-benzamide Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC(=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC(=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O3S/c1-11-6-8-13(10-17(11)23(25)26)18(24)22-19(27)21-16-5-3-4-15-14(16)9-7-12(2)20-15/h3-10H,1-2H3,(H2,21,22,24,27)