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

Systemtic Name: N-[(2-methylquinolin-5-yl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(2-methyl-5-quinolyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(2-methylquinolin-5-yl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(2-methyl-5-quinolyl)thiocarbamoyl]-2-nitro-benzamide Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O3S/c1-11-9-10-12-14(19-11)6-4-7-15(12)20-18(26)21-17(23)13-5-2-3-8-16(13)22(24)25/h2-10H,1H3,(H2,20,21,23,26)