N-(2-azanylethoxyimino)-1-pyridin-3-yl-cyclohexane-1-carbothioamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-(2-azanylethoxyimino)-1-pyridin-3-yl-cyclohexane-1-carbothioamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: N-(2-aminoethoxyimino)-1-(3-pyridyl)cyclohexanecarbothioamide; citric acid CAS Name: N-(2-aminoethoxyimino)-1-(3-pyridinyl)-1-cyclohexanecarbothioamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-(2-aminoethoxyimino)-1-pyridin-3-ylcyclohexane-1-carbothioamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: N-(2-aminoethyloximino)-1-(3-pyridyl)cyclohexanecarbothioamide; citric acid Formula: C20H28N4O8S MolecularWeight: 484.52332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CN=CC=C2)C(=S)N=NOCCN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)(C2=CN=CC=C2)C(=S)N=NOCCN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H20N4OS.C6H8O7/c15-8-10-19-18-17-13(20)14(6-2-1-3-7-14)12-5-4-9-16-11-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,9,11H,1-3,6-8,10,15H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)