N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclohexyl-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclohexyl-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-cyclohexyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-cyclohexyl-N-[(3S)-1,1-diketothiolan-3-yl]-2-(quinazolin-4-ylthio)acetamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)N([C@H]2CCS(=O)(=O)C2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H25N3O3S2/c24-19(12-27-20-17-8-4-5-9-18(17)21-14-22-20)23(15-6-2-1-3-7-15)16-10-11-28(25,26)13-16/h4-5,8-9,14-16H,1-3,6-7,10-13H2/t16-/m0/s1