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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

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