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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-methyl-2-[[2-(2-thienyl)quinazolin-4-yl]thio]propionamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S3/c1-13(20(24)23(2)14-9-11-29(25,26)12-14)28-19-15-6-3-4-7-16(15)21-18(22-19)17-8-5-10-27-17/h3-8,10,13-14H,9,11-12H2,1-2H3