3-methyl-N-[4-(2-quinazolin-4-ylsulfanylethanoyl)phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-(2-quinazolin-4-ylsulfanylethanoyl)phenyl]butanamide Openeye Name: 3-methyl-N-[4-(2-quinazolin-4-ylsulfanylacetyl)phenyl]butanamide CAS Name: 3-methyl-N-[4-[1-oxo-2-(4-quinazolinylthio)ethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-(2-quinazolin-4-ylsulfanylacetyl)phenyl]butanamide Traditional Name: 3-methyl-N-[4-[2-(quinazolin-4-ylthio)acetyl]phenyl]butyramide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-14(2)11-20(26)24-16-9-7-15(8-10-16)19(25)12-27-21-17-5-3-4-6-18(17)22-13-23-21/h3-10,13-14H,11-12H2,1-2H3,(H,24,26)