(Z)-but-2-enedioate; N,N-dimethyl-1-(2-phenylsulfanylphenyl)methanamine

Systemtic Name: (Z)-but-2-enedioate; N,N-dimethyl-1-(2-phenylsulfanylphenyl)methanamine Openeye Name: (Z)-but-2-enedioate; N,N-dimethyl-1-(2-phenylsulfanylphenyl)methanamine CAS Name: (Z)-2-butenedioate; N,N-dimethyl-1-[2-(phenylthio)phenyl]methanamine IUPAC Name: (Z)-but-2-enedioate; N,N-dimethyl-1-(2-phenylsulfanylphenyl)methanamine Traditional Name: dimethyl-[2-(phenylthio)benzyl]amine maleate Formula: C19H19NO4S-2 MolecularWeight: 357.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1SC2=CC=CC=C2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=CC=C1SC2=CC=CC=C2.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C15H17NS.C4H4O4/c1-16(2)12-13-8-6-7-11-15(13)17-14-9-4-3-5-10-14;5-3(6)1-2-4(7)8/h3-11H,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-