N-[[6-(cyclohexylcarbonylcarbamothioylamino)pyridin-2-yl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[6-(cyclohexylcarbonylcarbamothioylamino)pyridin-2-yl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[6-(cyclohexanecarbonylcarbamothioylamino)-2-pyridyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[6-[[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-2-pyridinyl]amino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[6-(cyclohexanecarbonylcarbamothioylamino)pyridin-2-yl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[6-(cyclohexanecarbonylthiocarbamoylamino)-2-pyridyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C21H29N5O2S2 MolecularWeight: 447.61726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)NC2=NC(=CC=C2)NC(=S)NC(=O)C3CCCCC3

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)NC2=NC(=CC=C2)NC(=S)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H29N5O2S2/c27-18(14-8-3-1-4-9-14)25-20(29)23-16-12-7-13-17(22-16)24-21(30)26-19(28)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2,(H4,22,23,24,25,26,27,28,29,30)