(1R,2R)-2-[(carbamothioylamino)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-[(carbamothioylamino)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[(carbamothioylamino)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[(carbamothioylhydrazo)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[(carbamothioylamino)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-(thioureidocarbamoyl)cyclohexanecarboxylate Formula: C9H14N3O3S- MolecularWeight: 244.29076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NNC(=S)N)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NNC(=S)N)C(=O)[O-]

InChI

InChI=1S/C9H15N3O3S/c10-9(16)12-11-7(13)5-3-1-2-4-6(5)8(14)15/h5-6H,1-4H2,(H,11,13)(H,14,15)(H3,10,12,16)/p-1/t5-,6-/m1/s1