N-(4-methylsulfanylphenyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-(methylthio)phenyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[4-(methylthio)phenyl]-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O2S2/c1-29-17-10-8-15(9-11-17)23-20(26)14-7-12-18-19(13-14)24-22(28)25(21(18)27)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,26)(H,24,28)