N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-methyl-N-[4-(methylthio)benzyl]hexanamide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C23H27N3O2S2/c1-25(16-17-11-13-18(30-2)14-12-17)21(27)10-4-3-7-15-26-22(28)19-8-5-6-9-20(19)24-23(26)29/h5-6,8-9,11-14H,3-4,7,10,15-16H2,1-2H3,(H,24,29)