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

Systemtic Name: N-cyclohexyl-3-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-cyclohexyl-3-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-cyclohexyl-3-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-cyclohexyl-3-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-cyclohexyl-3-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

C1CCC(CC1)NC(=O)CCSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C20H27N3O3S/c24-13-6-12-23-19(26)16-9-4-5-10-17(16)22-20(23)27-14-11-18(25)21-15-7-2-1-3-8-15/h4-5,9-10,15,24H,1-3,6-8,11-14H2,(H,21,25)