N-[(4-benzamidophenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(4-benzamidophenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-benzamidophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(4-benzamidoanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-benzamidophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-benzamidophenyl)thiocarbamoyl]-3-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=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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