N-(3,4-dihydro-2H-quinolin-1-ylcarbothioyl)-3,5-dinitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-quinolin-1-ylcarbothioyl)-3,5-dinitro-benzamide Openeye Name: N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3,5-dinitro-benzamide CAS Name: N-[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]-3,5-dinitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3,5-dinitrobenzamide Traditional Name: N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3,5-dinitro-benzamide Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5S/c22-16(12-8-13(20(23)24)10-14(9-12)21(25)26)18-17(27)19-7-3-5-11-4-1-2-6-15(11)19/h1-2,4,6,8-10H,3,5,7H2,(H,18,22,27)