3-methyl-4-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[2-(prop-2-enylthio)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-(2-prop-2-enylsulfanylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3SCC=C)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3SCC=C)NC1=S

InChI

InChI=1S/C19H17N3O2S2/c1-3-10-26-16-7-5-4-6-14(16)20-17(23)12-8-9-13-15(11-12)21-19(25)22(2)18(13)24/h3-9,11H,1,10H2,2H3,(H,20,23)(H,21,25)