4-(cyclohexylcarbamothioylamino)-N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzamide

Systemtic Name: 4-(cyclohexylcarbamothioylamino)-N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzamide Openeye Name: 4-(cyclohexylcarbamothioylamino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide CAS Name: 4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-N-(4-oxo-2-phenyl-3-quinazolinyl)benzamide IUPAC Name: 4-(cyclohexylcarbamothioylamino)-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide Traditional Name: 4-(cyclohexylthiocarbamoylamino)-N-(4-keto-2-phenyl-quinazolin-3-yl)benzamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c34-26(20-15-17-22(18-16-20)30-28(36)29-21-11-5-2-6-12-21)32-33-25(19-9-3-1-4-10-19)31-24-14-8-7-13-23(24)27(33)35/h1,3-4,7-10,13-18,21H,2,5-6,11-12H2,(H,32,34)(H2,29,30,36)