2,2-dimethyl-N-[4-(2-quinazolin-4-ylsulfanylethanoyl)phenyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[4-(2-quinazolin-4-ylsulfanylethanoyl)phenyl]propanamide Openeye Name: 2,2-dimethyl-N-[4-(2-quinazolin-4-ylsulfanylacetyl)phenyl]propanamide CAS Name: 2,2-dimethyl-N-[4-[1-oxo-2-(4-quinazolinylthio)ethyl]phenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-(2-quinazolin-4-ylsulfanylacetyl)phenyl]propanamide Traditional Name: 2,2-dimethyl-N-[4-[2-(quinazolin-4-ylthio)acetyl]phenyl]propionamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O2S/c1-21(2,3)20(26)24-15-10-8-14(9-11-15)18(25)12-27-19-16-6-4-5-7-17(16)22-13-23-19/h4-11,13H,12H2,1-3H3,(H,24,26)