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

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H29N3O3S/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/h3-4,8-9,14-15,17,25H,5-7,10-13H2,1-2H3,(H,22,26)