4-[(4-bromophenyl)carbamothioylamino]-N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzamide

Systemtic Name: 4-[(4-bromophenyl)carbamothioylamino]-N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzamide Openeye Name: 4-[(4-bromophenyl)carbamothioylamino]-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide CAS Name: 4-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-N-(4-oxo-2-phenyl-3-quinazolinyl)benzamide IUPAC Name: 4-[(4-bromophenyl)carbamothioylamino]-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide Traditional Name: 4-[(4-bromophenyl)thiocarbamoylamino]-N-(4-keto-2-phenyl-quinazolin-3-yl)benzamide Formula: C28H20BrN5O2S MolecularWeight: 570.4597

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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)NC5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)NC(=S)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C28H20BrN5O2S/c29-20-12-16-22(17-13-20)31-28(37)30-21-14-10-19(11-15-21)26(35)33-34-25(18-6-2-1-3-7-18)32-24-9-5-4-8-23(24)27(34)36/h1-17H,(H,33,35)(H2,30,31,37)