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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(6-sulfanylideneheptanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(6-thioxoheptanoyl)piperazin-1-yl]acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(1-oxo-6-sulfanylideneheptyl)-1-piperazinyl]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(6-sulfanylideneheptanoyl)piperazin-1-yl]acetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(6-thioxoheptanoyl)piperazino]acetamide Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S2/c1-15-7-8-17-18(13-15)29-21(22-17)23-19(26)14-24-9-11-25(12-10-24)20(27)6-4-3-5-16(2)28/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,22,23,26)