3-(3,4-dimethoxyphenyl)-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-4-oxo-N-[2-(phenylmethylthio)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-3-(3,4-dimethoxyphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCSCC4=CC=CC=C4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCSCC4=CC=CC=C4)NC2=S)OC

InChI

InChI=1S/C26H25N3O4S2/c1-32-22-11-9-19(15-23(22)33-2)29-25(31)20-10-8-18(14-21(20)28-26(29)34)24(30)27-12-13-35-16-17-6-4-3-5-7-17/h3-11,14-15H,12-13,16H2,1-2H3,(H,27,30)(H,28,34)