N-(1,3-benzothiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(7-thioxooctanoyl)piperazin-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-(1-oxo-7-sulfanylideneoctyl)-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(7-thioxooctanoyl)piperazino]acetamide Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)CCCCCC(=O)N1CCN(CC1)CC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=S)CCCCCC(=O)N1CCN(CC1)CC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H28N4O2S2/c1-16(28)7-3-2-4-10-20(27)25-13-11-24(12-14-25)15-19(26)23-21-22-17-8-5-6-9-18(17)29-21/h5-6,8-9H,2-4,7,10-15H2,1H3,(H,22,23,26)