N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-[[(3-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H15ClN4O4S MolecularWeight: 454.8862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O4S/c22-14-5-3-4-13(12-14)19(27)23-15-8-10-16(11-9-15)24-21(31)25-20(28)17-6-1-2-7-18(17)26(29)30/h1-12H,(H,23,27)(H2,24,25,28,31)