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

Systemtic Name: 4-[(4-ethoxyphenyl)carbamothioylamino]-N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzamide Openeye Name: 4-[(4-ethoxyphenyl)carbamothioylamino]-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide CAS Name: 4-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-N-(4-oxo-2-phenyl-3-quinazolinyl)benzamide IUPAC Name: 4-[(4-ethoxyphenyl)carbamothioylamino]-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide Traditional Name: N-(4-keto-2-phenyl-quinazolin-3-yl)-4-(p-phenetylthiocarbamoylamino)benzamide Formula: C30H25N5O3S MolecularWeight: 535.6162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C30H25N5O3S/c1-2-38-24-18-16-23(17-19-24)32-30(39)31-22-14-12-21(13-15-22)28(36)34-35-27(20-8-4-3-5-9-20)33-26-11-7-6-10-25(26)29(35)37/h3-19H,2H2,1H3,(H,34,36)(H2,31,32,39)