4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4-[(4-methylthiazol-2-yl)sulfanylmethyl]-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4-[[(4-methyl-2-thiazolyl)thio]methyl]-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-4-[[(4-methylthiazol-2-yl)thio]methyl]benzamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C21H27N3O2S2/c1-16-14-27-21(23-16)28-15-17-7-9-18(10-8-17)20(26)22-11-5-13-24-12-4-2-3-6-19(24)25/h7-10,14H,2-6,11-13,15H2,1H3,(H,22,26)