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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propionamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCS(=O)(=O)C1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1CCS(=O)(=O)C1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S2/c1-14(19(25)22-15-11-12-30(27,28)13-15)29-21-23-18-10-6-5-9-17(18)20(26)24(21)16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3,(H,22,25)