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

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-3-(4-methoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-(phenylmethylthio)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-4-keto-3-(4-methoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S2/c1-31-20-10-8-19(9-11-20)28-24(30)21-12-7-18(15-22(21)27-25(28)32)23(29)26-13-14-33-16-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,32)