N-[1-(4-ethylphenyl)ethyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[1-(4-ethylphenyl)ethyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[1-(4-ethylphenyl)ethyl]-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[1-(4-ethylphenyl)ethyl]-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[1-(4-ethylphenyl)ethyl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[1-(4-ethylphenyl)ethyl]-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C23H27N3O3S/c1-3-17-9-11-18(12-10-17)16(2)24-21(28)15-30-23-25-20-8-5-4-7-19(20)22(29)26(23)13-6-14-27/h4-5,7-12,16,27H,3,6,13-15H2,1-2H3,(H,24,28)