sodium S-[1-[4-[(6,7-dimethoxy-3-methyl-4-oxidanylidene-quinazolin-2-yl)methoxy]phenyl]-3-oxidanylidene-propan-2-yl] carbamothioate

Systemtic Name: sodium S-[1-[4-[(6,7-dimethoxy-3-methyl-4-oxidanylidene-quinazolin-2-yl)methoxy]phenyl]-3-oxidanylidene-propan-2-yl] carbamothioate Openeye Name: sodium S-[1-[[4-[(6,7-dimethoxy-3-methyl-4-oxo-quinazolin-2-yl)methoxy]phenyl]methyl]-2-oxo-ethyl] carbamothioate CAS Name: sodium carbamothioic acid S-[1-[4-[(6,7-dimethoxy-3-methyl-4-oxo-2-quinazolinyl)methoxy]phenyl]-3-oxopropan-2-yl] ester IUPAC Name: sodium S-[1-[4-[(6,7-dimethoxy-3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]-3-oxopropan-2-yl] carbamothioate Traditional Name: sodium thiocarbamic acid S-[2-keto-1-[4-[(4-keto-6,7-dimethoxy-3-methyl-quinazolin-2-yl)methoxy]benzyl]ethyl] ester Formula: C22H22N3NaO6S MolecularWeight: 479.48135

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC(=C(C=C2C1=O)OC)OC)COC3=CC=C(C=C3)CC([C-]=O)SC(=O)N.[Na+]

Isomeric SMILES

CN1C(=NC2=CC(=C(C=C2C1=O)OC)OC)COC3=CC=C(C=C3)CC([C-]=O)SC(=O)N.[Na+]

InChI

InChI=1S/C22H22N3O6S.Na/c1-25-20(24-17-10-19(30-3)18(29-2)9-16(17)21(25)27)12-31-14-6-4-13(5-7-14)8-15(11-26)32-22(23)28;/h4-7,9-10,15H,8,12H2,1-3H3,(H2,23,28);/q-1;+1