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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-ethyl-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-ethyl-2-[[2-(2-thienyl)quinazolin-4-yl]thio]propionamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H23N3O3S3/c1-3-24(15-10-12-30(26,27)13-15)21(25)14(2)29-20-16-7-4-5-8-17(16)22-19(23-20)18-9-6-11-28-18/h4-9,11,14-15H,3,10,12-13H2,1-2H3