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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-(7-thioxooctanoyl)piperazin-1-yl]acetamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-(1-oxo-7-sulfanylideneoctyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]acetamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-[4-(7-thioxooctanoyl)piperazino]acetamide Formula: C22H30N4O2S2 MolecularWeight: 446.6292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN3CCN(CC3)C(=O)CCCCCC(=S)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN3CCN(CC3)C(=O)CCCCCC(=S)C

InChI

InChI=1S/C22H30N4O2S2/c1-16-7-6-9-18-21(16)24-22(30-18)23-19(27)15-25-11-13-26(14-12-25)20(28)10-5-3-4-8-17(2)29/h6-7,9H,3-5,8,10-15H2,1-2H3,(H,23,24,27)