4-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzamide

Systemtic Name: 4-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzamide Openeye Name: 4-[(4-nitrobenzoyl)carbamothioylamino]-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide CAS Name: 4-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(4-oxo-2-phenyl-3-quinazolinyl)benzamide IUPAC Name: 4-[(4-nitrobenzoyl)carbamothioylamino]-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide Traditional Name: N-(4-keto-2-phenyl-quinazolin-3-yl)-4-[(4-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C29H20N6O5S MolecularWeight: 564.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)NC(=S)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)NC(=S)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H20N6O5S/c36-26(19-12-16-22(17-13-19)35(39)40)32-29(41)30-21-14-10-20(11-15-21)27(37)33-34-25(18-6-2-1-3-7-18)31-24-9-5-4-8-23(24)28(34)38/h1-17H,(H,33,37)(H2,30,32,36,41)