4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[3-(propanoylamino)phenyl]benzamide

Systemtic Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[3-(propanoylamino)phenyl]benzamide Openeye Name: 4-[(2-methylthiazol-4-yl)methylsulfanyl]-N-[3-(propanoylamino)phenyl]benzamide CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]-N-[3-(1-oxopropylamino)phenyl]benzamide IUPAC Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[3-(propanoylamino)phenyl]benzamide Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]-N-(3-propionamidophenyl)benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

InChI

InChI=1S/C21H21N3O2S2/c1-3-20(25)23-16-5-4-6-17(11-16)24-21(26)15-7-9-19(10-8-15)28-13-18-12-27-14(2)22-18/h4-12H,3,13H2,1-2H3,(H,23,25)(H,24,26)