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

Systemtic Name: N-(4-nitro-1,3-thiazol-2-yl)-2-[4-(6-sulfanylideneheptanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(4-nitrothiazol-2-yl)-2-[4-(6-thioxoheptanoyl)piperazin-1-yl]acetamide CAS Name: N-(4-nitro-2-thiazolyl)-2-[4-(1-oxo-6-sulfanylideneheptyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-nitro-1,3-thiazol-2-yl)-2-[4-(6-sulfanylideneheptanoyl)piperazin-1-yl]acetamide Traditional Name: N-(4-nitrothiazol-2-yl)-2-[4-(6-thioxoheptanoyl)piperazino]acetamide Formula: C16H23N5O4S2 MolecularWeight: 413.51492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4S2/c1-12(26)4-2-3-5-15(23)20-8-6-19(7-9-20)10-14(22)18-16-17-13(11-27-16)21(24)25/h11H,2-10H2,1H3,(H,17,18,22)