N-(4-dimethylaminophenyl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC

InChI

InChI=1S/C22H26N4O3S/c1-25(2)17-11-9-16(10-12-17)23-20(27)15-30-22-24-19-8-5-4-7-18(19)21(28)26(22)13-6-14-29-3/h4-5,7-12H,6,13-15H2,1-3H3,(H,23,27)