N-cyclohexylcyclohexanamine; (2R)-2-(thiophen-2-ylmethylideneamino)-3-(triphenylmethyl)sulfanyl-propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2R)-2-(thiophen-2-ylmethylideneamino)-3-(triphenylmethyl)sulfanyl-propanoic acid Openeye Name: N-cyclohexylcyclohexanamine; (2R)-2-(2-thienylmethyleneamino)-3-tritylsulfanyl-propanoic acid CAS Name: N-cyclohexylcyclohexanamine; (2R)-2-(thiophen-2-ylmethylideneamino)-3-[(triphenylmethyl)thio]propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2R)-2-(thiophen-2-ylmethylideneamino)-3-tritylsulfanylpropanoic acid Traditional Name: dicyclohexylamine; (2R)-2-(2-thenylideneamino)-3-(tritylthio)propionic acid Formula: C39H46N2O2S2 MolecularWeight: 638.92474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N=CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N=CC4=CC=CS4

InChI

InChI=1S/C27H23NO2S2.C12H23N/c29-26(30)25(28-19-24-17-10-18-31-24)20-32-27(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-19,25H,20H2,(H,29,30);11-13H,1-10H2/t25-;/m0./s1