N-(cyclohexylcarbamoyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC4CCCCC4)OC

InChI

InChI=1S/C25H28N4O5S/c1-33-20-13-12-17(14-21(20)34-2)29-23(31)18-10-6-7-11-19(18)27-25(29)35-15-22(30)28-24(32)26-16-8-4-3-5-9-16/h6-7,10-14,16H,3-5,8-9,15H2,1-2H3,(H2,26,28,30,32)