N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(6-sulfanylhexanoyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(6-sulfanylhexanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(6-sulfanylhexanoyl)piperazin-1-yl]acetamide CAS Name: 2-[4-(6-mercapto-1-oxohexyl)-1-piperazinyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(6-sulfanylhexanoyl)piperazin-1-yl]acetamide Traditional Name: 2-[4-(6-mercaptohexanoyl)piperazino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H28N4O2S2 MolecularWeight: 420.59192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCN(CC3)C(=O)CCCCCS

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCN(CC3)C(=O)CCCCCS

InChI

InChI=1S/C20H28N4O2S2/c1-15-6-7-16-17(13-15)28-20(21-16)22-18(25)14-23-8-10-24(11-9-23)19(26)5-3-2-4-12-27/h6-7,13,27H,2-5,8-12,14H2,1H3,(H,21,22,25)