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

Systemtic Name: 4-(methylcarbamothioylamino)-N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)benzamide Openeye Name: 4-(methylcarbamothioylamino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide CAS Name: 4-[[methylamino(sulfanylidene)methyl]amino]-N-(4-oxo-2-phenyl-3-quinazolinyl)benzamide IUPAC Name: 4-(methylcarbamothioylamino)-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide Traditional Name: N-(4-keto-2-phenyl-quinazolin-3-yl)-4-(methylthiocarbamoylamino)benzamide Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC=C(C=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CNC(=S)NC1=CC=C(C=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19N5O2S/c1-24-23(31)25-17-13-11-16(12-14-17)21(29)27-28-20(15-7-3-2-4-8-15)26-19-10-6-5-9-18(19)22(28)30/h2-14H,1H3,(H,27,29)(H2,24,25,31)