5-nitro-2-[(4-oxidanylcyclohexyl)amino]-N-(1,3-thiazol-4-ylmethyl)benzamide

Systemtic Name: 5-nitro-2-[(4-oxidanylcyclohexyl)amino]-N-(1,3-thiazol-4-ylmethyl)benzamide Openeye Name: 2-[(4-hydroxycyclohexyl)amino]-5-nitro-N-(thiazol-4-ylmethyl)benzamide CAS Name: 2-[(4-hydroxycyclohexyl)amino]-5-nitro-N-(4-thiazolylmethyl)benzamide IUPAC Name: 2-[(4-hydroxycyclohexyl)amino]-5-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide Traditional Name: 2-[(4-hydroxycyclohexyl)amino]-5-nitro-N-(thiazol-4-ylmethyl)benzamide Formula: C17H20N4O4S MolecularWeight: 376.4301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CSC=N3)O

Isomeric SMILES

C1CC(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CSC=N3)O

InChI

InChI=1S/C17H20N4O4S/c22-14-4-1-11(2-5-14)20-16-6-3-13(21(24)25)7-15(16)17(23)18-8-12-9-26-10-19-12/h3,6-7,9-11,14,20,22H,1-2,4-5,8H2,(H,18,23)