2-[(3-nitrophenyl)carbonylcarbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[(3-nitrophenyl)carbonylcarbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[(3-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: 2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[(3-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-2-[(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=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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