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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-veratryl-acetamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)OC

InChI

InChI=1S/C22H25N3O5S/c1-29-18-9-8-15(12-19(18)30-2)13-23-20(27)14-31-22-24-17-7-4-3-6-16(17)21(28)25(22)10-5-11-26/h3-4,6-9,12,26H,5,10-11,13-14H2,1-2H3,(H,23,27)