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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

InChI

InChI=1S/C21H23N3O3S/c1-14-7-5-10-17(15(14)2)22-19(26)13-28-21-23-18-9-4-3-8-16(18)20(27)24(21)11-6-12-25/h3-5,7-10,25H,6,11-13H2,1-2H3,(H,22,26)