ethanedioate; N-[3-(phenethylamino)butyl]-N-thiophen-2-yl-propanamide

Systemtic Name: ethanedioate; N-[3-(phenethylamino)butyl]-N-thiophen-2-yl-propanamide Openeye Name: oxalate; N-[3-(phenethylamino)butyl]-N-(2-thienyl)propanamide CAS Name: oxalate; N-[3-(phenethylamino)butyl]-N-thiophen-2-ylpropanamide IUPAC Name: oxalate; N-[3-(phenethylamino)butyl]-N-thiophen-2-ylpropanamide Traditional Name: oxalate; N-[3-(phenethylamino)butyl]-N-(2-thienyl)propionamide Formula: C21H26N2O5S-2 MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCC(C)NCCC1=CC=CC=C1)C2=CC=CS2.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC(=O)N(CCC(C)NCCC1=CC=CC=C1)C2=CC=CS2.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C19H26N2OS.C2H2O4/c1-3-18(22)21(19-10-7-15-23-19)14-12-16(2)20-13-11-17-8-5-4-6-9-17;3-1(4)2(5)6/h4-10,15-16,20H,3,11-14H2,1-2H3;(H,3,4)(H,5,6)/p-2