N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(7-thioxooctanoyl)piperazin-1-yl]acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(1-oxo-7-sulfanylideneoctyl)-1-piperazinyl]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]acetamide Traditional Name: N-(6-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=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCN(CC3)C(=O)CCCCCC(=S)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S2/c1-16-8-9-18-19(14-16)30-22(23-18)24-20(27)15-25-10-12-26(13-11-25)21(28)7-5-3-4-6-17(2)29/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,23,24,27)