N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-ethyl-propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-ethyl-propanamide Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethyl-propanamide CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-N-(1,1-dioxo-3-thiolanyl)-N-ethylpropanamide IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-N-(1,1-diketothiolan-3-yl)-N-ethyl-propionamide Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C20H26N4O3S2/c1-3-24(15-10-11-29(26,27)12-15)19(25)13(2)28-20-22-17-7-5-4-6-16(17)18(23-20)21-14-8-9-14/h4-7,13-15H,3,8-12H2,1-2H3,(H,21,22,23)