N-(2-methylsulfanylquinazolin-4-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(2-methylsulfanylquinazolin-4-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(2-methylsulfanylquinazolin-4-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-[2-(methylthio)-4-quinazolinyl]-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(2-methylsulfanylquinazolin-4-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-[2-(methylthio)quinazolin-4-yl]-1H-quinazoline-2-carbothioamide Formula: C18H13N5OS2 MolecularWeight: 379.45872

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2C(=N1)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CSC1=NC2=CC=CC=C2C(=N1)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H13N5OS2/c1-26-18-20-12-8-4-2-6-10(12)14(23-18)22-17(25)15-19-13-9-5-3-7-11(13)16(24)21-15/h2-9H,1H3,(H,19,21,24)(H,20,22,23,25)