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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC4=CC=CC=C4O3

InChI

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