methyl 3-cycloheptyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-cycloheptyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-cycloheptyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-cycloheptyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-cycloheptyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-cycloheptyl-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3CCCCCC3

InChI

InChI=1S/C17H20N2O3S/c1-22-16(21)11-8-9-13-14(10-11)18-17(23)19(15(13)20)12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,23)