N-cyclohexylcyclohexanamine; 1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanyl-2-methyl-propanoyl)indoline-2-carboxylic acid; N-cyclohexylcyclohexanamine CAS Name: 1-[3-(acetylthio)-2-methyl-1-oxopropyl]-2,3-dihydroindole-2-carboxylic acid; N-cyclohexylcyclohexanamine IUPAC Name: 1-(3-acetylsulfanyl-2-methylpropanoyl)-2,3-dihydroindole-2-carboxylic acid; N-cyclohexylcyclohexanamine Traditional Name: 1-[3-(acetylthio)-2-methyl-propanoyl]indoline-2-carboxylic acid; dicyclohexylamine Formula: C27H40N2O4S MolecularWeight: 488.6825

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1C(CC2=CC=CC=C21)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C(CC2=CC=CC=C21)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C15H17NO4S.C12H23N/c1-9(8-21-10(2)17)14(18)16-12-6-4-3-5-11(12)7-13(16)15(19)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-6,9,13H,7-8H2,1-2H3,(H,19,20);11-13H,1-10H2