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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C20H27N3O3S/c1-14(18(25)21-15-8-3-2-4-9-15)27-20-22-17-11-6-5-10-16(17)19(26)23(20)12-7-13-24/h5-6,10-11,14-15,24H,2-4,7-9,12-13H2,1H3,(H,21,25)