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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)N(C)C1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H29N3O3S/c1-15(19(26)23(2)16-9-4-3-5-10-16)28-21-22-18-12-7-6-11-17(18)20(27)24(21)13-8-14-25/h6-7,11-12,15-16,25H,3-5,8-10,13-14H2,1-2H3