ethanedioic acid; N-[1-[2-(2-methylphenyl)ethylamino]propan-2-yl]-N-thiophen-2-yl-propanamide

Systemtic Name: ethanedioic acid; N-[1-[2-(2-methylphenyl)ethylamino]propan-2-yl]-N-thiophen-2-yl-propanamide Openeye Name: N-[1-methyl-2-[2-(o-tolyl)ethylamino]ethyl]-N-(2-thienyl)propanamide; oxalic acid CAS Name: N-[1-[2-(2-methylphenyl)ethylamino]propan-2-yl]-N-thiophen-2-ylpropanamide; oxalic acid IUPAC Name: N-[1-[2-(2-methylphenyl)ethylamino]propan-2-yl]-N-thiophen-2-ylpropanamide; oxalic acid Traditional Name: N-[1-methyl-2-[2-(o-tolyl)ethylamino]ethyl]-N-(2-thienyl)propionamide; oxalic acid Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CS1)C(C)CNCCC2=CC=CC=C2C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CS1)C(C)CNCCC2=CC=CC=C2C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N2OS.C2H2O4/c1-4-18(22)21(19-10-7-13-23-19)16(3)14-20-12-11-17-9-6-5-8-15(17)2;3-1(4)2(5)6/h5-10,13,16,20H,4,11-12,14H2,1-3H3;(H,3,4)(H,5,6)