N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-[(2-thiophen-2-yl-4-quinazolinyl)thio]propanamide IUPAC Name: N-(2-methyl-4-oxopentan-2-yl)-3-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide Traditional Name: N-(3-keto-1,1-dimethyl-butyl)-3-[[2-(2-thienyl)quinazolin-4-yl]thio]propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCSC1=NC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CCSC1=NC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C21H23N3O2S2/c1-14(25)13-21(2,3)24-18(26)10-12-28-20-15-7-4-5-8-16(15)22-19(23-20)17-9-6-11-27-17/h4-9,11H,10,12-13H2,1-3H3,(H,24,26)