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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(6-sulfanylideneheptanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(6-thioxoheptanoyl)piperazin-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-(1-oxo-6-sulfanylideneheptyl)-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(6-sulfanylideneheptanoyl)piperazin-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[4-(6-thioxoheptanoyl)piperazino]acetamide Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S2/c1-15(27)6-2-5-9-19(26)24-12-10-23(11-13-24)14-18(25)22-20-21-16-7-3-4-8-17(16)28-20/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,21,22,25)