N-(3-methylphenyl)-3-[(3-nitrophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3-methylphenyl)-3-[(3-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(m-tolyl)-3-[(3-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-methylphenyl)-3-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methylphenyl)-3-[(3-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(m-tolyl)-3-[(3-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-14-5-2-8-17(11-14)23-20(27)15-6-3-9-18(12-15)24-22(31)25-21(28)16-7-4-10-19(13-16)26(29)30/h2-13H,1H3,(H,23,27)(H2,24,25,28,31)