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

Systemtic Name: N-cycloheptyl-2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cycloheptyl-2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cycloheptyl-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cycloheptyl-2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCC4)OC

InChI

InChI=1S/C25H29N3O4S/c1-31-21-14-13-18(15-22(21)32-2)28-24(30)19-11-7-8-12-20(19)27-25(28)33-16-23(29)26-17-9-5-3-4-6-10-17/h7-8,11-15,17H,3-6,9-10,16H2,1-2H3,(H,26,29)