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

Systemtic Name: N-(4-nitro-1,3-thiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(4-nitrothiazol-2-yl)-2-[4-(7-thioxooctanoyl)piperazin-1-yl]acetamide CAS Name: N-(4-nitro-2-thiazolyl)-2-[4-(1-oxo-7-sulfanylideneoctyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-nitro-1,3-thiazol-2-yl)-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]acetamide Traditional Name: N-(4-nitrothiazol-2-yl)-2-[4-(7-thioxooctanoyl)piperazino]acetamide Formula: C17H25N5O4S2 MolecularWeight: 427.5415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=S)CCCCCC(=O)N1CCN(CC1)CC(=O)NC2=NC(=CS2)[N+](=O)[O-]

Isomeric SMILES

CC(=S)CCCCCC(=O)N1CCN(CC1)CC(=O)NC2=NC(=CS2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4S2/c1-13(27)5-3-2-4-6-16(24)21-9-7-20(8-10-21)11-15(23)19-17-18-14(12-28-17)22(25)26/h12H,2-11H2,1H3,(H,18,19,23)