N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-nitro-benzamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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