ethyl 2-[3-cyclohexyl-7-(cyclohexylcarbamoyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyclohexyl-7-(cyclohexylcarbamoyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-cyclohexyl-7-(cyclohexylcarbamoyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-cyclohexyl-7-[(cyclohexylamino)-oxomethyl]-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyclohexyl-7-(cyclohexylcarbamoyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyclohexyl-7-(cyclohexylcarbamoyl)-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCC3)C(=O)N1C4CCCCC4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCC3)C(=O)N1C4CCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-2-32-22(29)16-33-25-27-21-15-17(23(30)26-18-9-5-3-6-10-18)13-14-20(21)24(31)28(25)19-11-7-4-8-12-19/h13-15,18-19H,2-12,16H2,1H3,(H,26,30)