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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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