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

Systemtic Name: 2-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-[(4-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(4-anilinophenyl)-2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-[(4-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(4-anilinophenyl)-2-[(4-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=C(C=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=C(C=C4)[N+](=O)[O-]

InChI

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