N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)Cl)OC

InChI

InChI=1S/C21H22ClN3O5S/c1-29-17-11-18(30-2)16(10-14(17)22)23-19(27)12-31-21-24-15-7-4-3-6-13(15)20(28)25(21)8-5-9-26/h3-4,6-7,10-11,26H,5,8-9,12H2,1-2H3,(H,23,27)