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

Systemtic Name: 2-[(2-nitrophenyl)carbonylcarbamothioylamino]-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-[(2-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(4-anilinophenyl)-2-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-[(2-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(4-anilinophenyl)-2-[(2-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(29-20-16-14-19(15-17-20)28-18-8-2-1-3-9-18)21-10-4-6-12-23(21)30-27(37)31-26(34)22-11-5-7-13-24(22)32(35)36/h1-17,28H,(H,29,33)(H2,30,31,34,37)