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

Systemtic Name: 4-methoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[(2-methyl-5-quinolyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[(2-methyl-5-quinolyl)thiocarbamoyl]-3-nitro-benzamide Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S/c1-11-6-8-13-14(20-11)4-3-5-15(13)21-19(28)22-18(24)12-7-9-17(27-2)16(10-12)23(25)26/h3-10H,1-2H3,(H2,21,22,24,28)