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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(6-sulfanylhexanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(6-sulfanylhexanoyl)piperazin-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-(6-mercapto-1-oxohexyl)-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(6-sulfanylhexanoyl)piperazin-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(6-mercaptohexanoyl)piperazino]acetamide Formula: C19H26N4O2S2 MolecularWeight: 406.56534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=NC3=CC=CC=C3S2)C(=O)CCCCCS

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=NC3=CC=CC=C3S2)C(=O)CCCCCS

InChI

InChI=1S/C19H26N4O2S2/c24-17(21-19-20-15-6-3-4-7-16(15)27-19)14-22-9-11-23(12-10-22)18(25)8-2-1-5-13-26/h3-4,6-7,26H,1-2,5,8-14H2,(H,20,21,24)