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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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