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

Systemtic Name: N-cyclohexyl-N-ethyl-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-cyclohexyl-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-cyclohexyl-N-ethyl-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-cyclohexyl-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-cyclohexyl-N-ethyl-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C22H31N3O3S MolecularWeight: 417.56484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-3-24(17-10-5-4-6-11-17)20(27)16(2)29-22-23-19-13-8-7-12-18(19)21(28)25(22)14-9-15-26/h7-8,12-13,16-17,26H,3-6,9-11,14-15H2,1-2H3