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

Systemtic Name: 4-[(4-chlorophenyl)carbonylcarbamothioylamino]-N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzamide Openeye Name: 4-[(4-chlorobenzoyl)carbamothioylamino]-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide CAS Name: 4-[[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(4-oxo-2-phenyl-3-quinazolinyl)benzamide IUPAC Name: 4-[(4-chlorobenzoyl)carbamothioylamino]-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide Traditional Name: 4-[(4-chlorobenzoyl)thiocarbamoylamino]-N-(4-keto-2-phenyl-quinazolin-3-yl)benzamide Formula: C29H20ClN5O3S MolecularWeight: 554.0188

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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)Cl

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)Cl

InChI

InChI=1S/C29H20ClN5O3S/c30-21-14-10-19(11-15-21)26(36)33-29(39)31-22-16-12-20(13-17-22)27(37)34-35-25(18-6-2-1-3-7-18)32-24-9-5-4-8-23(24)28(35)38/h1-17H,(H,34,37)(H2,31,33,36,39)