(1S,2R)-2-[(phenylcarbamothioylamino)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(phenylcarbamothioylamino)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(phenylcarbamothioylamino)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[[anilino(sulfanylidene)methyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(phenylcarbamothioylamino)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(phenylthiocarbamoylamino)carbamoyl]cyclohexanecarboxylic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NNC(=S)NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NNC(=S)NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H19N3O3S/c19-13(11-8-4-5-9-12(11)14(20)21)17-18-15(22)16-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,17,19)(H,20,21)(H2,16,18,22)/t11-,12+/m1/s1