N-[4-(3-acetamido-4-methylsulfanyl-phenyl)-1,3-thiazol-2-yl]pentanamide

Systemtic Name: N-[4-(3-acetamido-4-methylsulfanyl-phenyl)-1,3-thiazol-2-yl]pentanamide Openeye Name: N-[4-(3-acetamido-4-methylsulfanyl-phenyl)thiazol-2-yl]pentanamide CAS Name: N-[4-[3-acetamido-4-(methylthio)phenyl]-2-thiazolyl]pentanamide IUPAC Name: N-[4-(3-acetamido-4-methylsulfanylphenyl)-1,3-thiazol-2-yl]pentanamide Traditional Name: N-[4-[3-acetamido-4-(methylthio)phenyl]thiazol-2-yl]valeramide Formula: C17H21N3O2S2 MolecularWeight: 363.49754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)SC)NC(=O)C

Isomeric SMILES

CCCCC(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)SC)NC(=O)C

InChI

InChI=1S/C17H21N3O2S2/c1-4-5-6-16(22)20-17-19-14(10-24-17)12-7-8-15(23-3)13(9-12)18-11(2)21/h7-10H,4-6H2,1-3H3,(H,18,21)(H,19,20,22)