3-[2-(cyclohexen-1-yl)ethyl]-N-(2,2-dimethoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-(2,2-dimethoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-(2,2-dimethoxyethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-N-(2,2-dimethoxyethyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CCCCC3)OC

Isomeric SMILES

COC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CCCCC3)OC

InChI

InChI=1S/C21H27N3O4S/c1-27-18(28-2)13-22-19(25)15-8-9-16-17(12-15)23-21(29)24(20(16)26)11-10-14-6-4-3-5-7-14/h6,8-9,12,18H,3-5,7,10-11,13H2,1-2H3,(H,22,25)(H,23,29)