N-butylbutan-1-amine; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: N-butylbutan-1-amine; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: N-butylbutan-1-amine; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: N-butyl-1-butanamine; 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: N-butylbutan-1-amine; 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: dibutylamine; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C28H42N2O3S MolecularWeight: 486.70968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCC.CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

Isomeric SMILES

CCCCNCCCC.CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C20H23NO3S.C8H19N/c1-13-8-9-16(17(12-13)15-7-5-4-6-14(15)2)19(22)21-18(20(23)24)10-11-25-3;1-3-5-7-9-8-6-4-2/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);9H,3-8H2,1-2H3