ethanedioic acid; 4-[[methyl-(phenylmethyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine

Systemtic Name: ethanedioic acid; 4-[[methyl-(phenylmethyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine Openeye Name: 4-[[benzyl(methyl)amino]methyl]-N-phenyl-thiazol-2-amine; oxalic acid CAS Name: 4-[[methyl-(phenylmethyl)amino]methyl]-N-phenyl-2-thiazolamine; oxalic acid IUPAC Name: 4-[[benzyl(methyl)amino]methyl]-N-phenyl-1,3-thiazol-2-amine; oxalic acid Traditional Name: (2-anilinothiazol-4-yl)methyl-benzyl-methyl-amine; oxalic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=CSC(=N2)NC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=CSC(=N2)NC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19N3S.C2H2O4/c1-21(12-15-8-4-2-5-9-15)13-17-14-22-18(20-17)19-16-10-6-3-7-11-16;3-1(4)2(5)6/h2-11,14H,12-13H2,1H3,(H,19,20);(H,3,4)(H,5,6)