N-butylcyclohexanamine; 2-[[2-(2-methylphenyl)-4-propyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: N-butylcyclohexanamine; 2-[[2-(2-methylphenyl)-4-propyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: N-butylcyclohexanamine; 4-methylsulfanyl-2-[[2-(o-tolyl)-4-propyl-benzoyl]amino]butanoic acid CAS Name: N-butylcyclohexanamine; 2-[[[2-(2-methylphenyl)-4-propylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: N-butylcyclohexanamine; 2-[[2-(2-methylphenyl)-4-propylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: butyl(cyclohexyl)amine; 4-(methylthio)-2-[[2-(o-tolyl)-4-propyl-benzoyl]amino]butyric acid Formula: C32H48N2O3S MolecularWeight: 540.80012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CCCCC1.CCCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

Isomeric SMILES

CCCCNC1CCCCC1.CCCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C22H27NO3S.C10H21N/c1-4-7-16-10-11-18(19(14-16)17-9-6-5-8-15(17)2)21(24)23-20(22(25)26)12-13-27-3;1-2-3-9-11-10-7-5-4-6-8-10/h5-6,8-11,14,20H,4,7,12-13H2,1-3H3,(H,23,24)(H,25,26);10-11H,2-9H2,1H3