N-(4-ethylphenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-ethylphenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-ethylphenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-ethylphenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-ethylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(4-ethylphenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C22H25N3O3S/c1-3-16-9-11-17(12-10-16)23-20(27)15(2)29-22-24-19-8-5-4-7-18(19)21(28)25(22)13-6-14-26/h4-5,7-12,15,26H,3,6,13-14H2,1-2H3,(H,23,27)