1-cyclohexyl-3-ethylsulfanyl-propan-2-amine; 4-methyl-2-(2-methylphenyl)benzoic acid

Systemtic Name: 1-cyclohexyl-3-ethylsulfanyl-propan-2-amine; 4-methyl-2-(2-methylphenyl)benzoic acid Openeye Name: 1-cyclohexyl-3-ethylsulfanyl-propan-2-amine; 4-methyl-2-(o-tolyl)benzoic acid CAS Name: 1-cyclohexyl-3-(ethylthio)-2-propanamine; 4-methyl-2-(2-methylphenyl)benzoic acid IUPAC Name: 1-cyclohexyl-3-ethylsulfanylpropan-2-amine; 4-methyl-2-(2-methylphenyl)benzoic acid Traditional Name: [1-(cyclohexylmethyl)-2-(ethylthio)ethyl]amine; 4-methyl-2-(o-tolyl)benzoic acid Formula: C26H37NO2S MolecularWeight: 427.64248

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(CC1CCCCC1)N.CC1=CC(=C(C=C1)C(=O)O)C2=CC=CC=C2C

Isomeric SMILES

CCSCC(CC1CCCCC1)N.CC1=CC(=C(C=C1)C(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C15H14O2.C11H23NS/c1-10-7-8-13(15(16)17)14(9-10)12-6-4-3-5-11(12)2;1-2-13-9-11(12)8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17);10-11H,2-9,12H2,1H3