N-[(3-benzamidophenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(3-benzamidophenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(3-benzamidophenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(3-benzamidoanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(3-benzamidophenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(3-benzamidophenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4S/c26-19(14-7-2-1-3-8-14)22-15-9-6-10-16(13-15)23-21(30)24-20(27)17-11-4-5-12-18(17)25(28)29/h1-13H,(H,22,26)(H2,23,24,27,30)