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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4S/c27-20(23-14-15-6-2-1-3-7-15)16-8-4-10-18(12-16)24-22(31)25-21(28)17-9-5-11-19(13-17)26(29)30/h1-13H,14H2,(H,23,27)(H2,24,25,28,31)