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

Systemtic Name: N-[4-(2-quinazolin-4-ylsulfanylethanoyl)phenyl]butanamide Openeye Name: N-[4-(2-quinazolin-4-ylsulfanylacetyl)phenyl]butanamide CAS Name: N-[4-[1-oxo-2-(4-quinazolinylthio)ethyl]phenyl]butanamide IUPAC Name: N-[4-(2-quinazolin-4-ylsulfanylacetyl)phenyl]butanamide Traditional Name: N-[4-[2-(quinazolin-4-ylthio)acetyl]phenyl]butyramide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2S/c1-2-5-19(25)23-15-10-8-14(9-11-15)18(24)12-26-20-16-6-3-4-7-17(16)21-13-22-20/h3-4,6-11,13H,2,5,12H2,1H3,(H,23,25)