4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]carbamothioylamino]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxamide Formula: C15H25N5OS MolecularWeight: 323.4569

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2CCCC(C2C)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)N[C@H]2CCC[C@H]([C@@H]2C)C

InChI

InChI=1S/C15H25N5OS/c1-4-20-8-12(13(19-20)14(16)21)18-15(22)17-11-7-5-6-9(2)10(11)3/h8-11H,4-7H2,1-3H3,(H2,16,21)(H2,17,18,22)/t9-,10+,11+/m1/s1