N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-quinazolin-4-ylsulfanyl-propanamide

Systemtic Name: N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-quinazolin-4-ylsulfanyl-propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-quinazolin-4-ylsulfanyl-propanamide CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-(4-quinazolinylthio)propanamide IUPAC Name: N-(2-methyl-4-oxopentan-2-yl)-3-quinazolin-4-ylsulfanylpropanamide Traditional Name: N-(3-keto-1,1-dimethyl-butyl)-3-(quinazolin-4-ylthio)propionamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-12(21)10-17(2,3)20-15(22)8-9-23-16-13-6-4-5-7-14(13)18-11-19-16/h4-7,11H,8-10H2,1-3H3,(H,20,22)