2-[[4-(dimethylaminomethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(dimethylaminomethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(dimethylaminomethyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(dimethylaminomethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(dimethylaminomethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(dimethylaminomethyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C15H22N2O3S MolecularWeight: 310.41178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C15H22N2O3S/c1-17(2)10-11-4-6-12(7-5-11)14(18)16-13(15(19)20)8-9-21-3/h4-7,13H,8-10H2,1-3H3,(H,16,18)(H,19,20)