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

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[4-(7-thioxooctanoyl)piperazin-1-yl]acetamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[4-(1-oxo-7-sulfanylideneoctyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]acetamide Traditional Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[4-(7-thioxooctanoyl)piperazino]acetamide Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3S2/c1-16(30)7-4-3-5-10-20(28)26-13-11-25(12-14-26)15-19(27)23-22-24-21-17(29-2)8-6-9-18(21)31-22/h6,8-9H,3-5,7,10-15H2,1-2H3,(H,23,24,27)