2-chloranyl-N-[3-[(4-nitrophenyl)carbonylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[3-[(4-nitrophenyl)carbonylcarbamothioylamino]phenyl]benzamide Openeye Name: 2-chloro-N-[3-[(4-nitrobenzoyl)carbamothioylamino]phenyl]benzamide CAS Name: 2-chloro-N-[3-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-chloro-N-[3-[(4-nitrobenzoyl)carbamothioylamino]phenyl]benzamide Traditional Name: 2-chloro-N-[3-[(4-nitrobenzoyl)thiocarbamoylamino]phenyl]benzamide Formula: C21H15ClN4O4S MolecularWeight: 454.8862

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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=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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