N-[(2,4-dimethylquinolin-8-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(2,4-dimethylquinolin-8-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(2,4-dimethyl-8-quinolyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[(2,4-dimethyl-8-quinolinyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(2,4-dimethylquinolin-8-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(2,4-dimethyl-8-quinolyl)thiocarbamoyl]-3-nitro-benzamide Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

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