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

Systemtic Name: N-(2-methylcyclohexyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methylcyclohexyl)propanamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methylcyclohexyl)propionamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H29N3O3S/c1-14-8-3-5-10-17(14)22-19(26)15(2)28-21-23-18-11-6-4-9-16(18)20(27)24(21)12-7-13-25/h4,6,9,11,14-15,17,25H,3,5,7-8,10,12-13H2,1-2H3,(H,22,26)