N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S/c1-13-5-2-3-8-17(13)21-24-18-12-15(9-10-19(18)30-21)23-22(31)25-20(27)14-6-4-7-16(11-14)26(28)29/h2-12H,1H3,(H2,23,25,27,31)