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

Systemtic Name: 2-[(3-nitrophenyl)carbonylcarbamothioylamino]-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-[(3-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(4-anilinophenyl)-2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-[(3-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(4-anilinophenyl)-2-[(3-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C27H21N5O4S MolecularWeight: 511.55174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H21N5O4S/c33-25(18-7-6-10-22(17-18)32(35)36)31-27(37)30-24-12-5-4-11-23(24)26(34)29-21-15-13-20(14-16-21)28-19-8-2-1-3-9-19/h1-17,28H,(H,29,34)(H2,30,31,33,37)