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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3

InChI

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