ethanedioate; N-[3-(1-phenylpropan-2-ylamino)butyl]-N-thiophen-2-yl-propanamide

Systemtic Name: ethanedioate; N-[3-(1-phenylpropan-2-ylamino)butyl]-N-thiophen-2-yl-propanamide Openeye Name: N-[3-[(1-methyl-2-phenyl-ethyl)amino]butyl]-N-(2-thienyl)propanamide; oxalate CAS Name: oxalate; N-[3-(1-phenylpropan-2-ylamino)butyl]-N-thiophen-2-ylpropanamide IUPAC Name: oxalate; N-[3-(1-phenylpropan-2-ylamino)butyl]-N-thiophen-2-ylpropanamide Traditional Name: N-[3-[(1-methyl-2-phenyl-ethyl)amino]butyl]-N-(2-thienyl)propionamide; oxalate Formula: C22H28N2O5S-2 MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCC(C)NC(C)CC1=CC=CC=C1)C2=CC=CS2.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC(=O)N(CCC(C)NC(C)CC1=CC=CC=C1)C2=CC=CS2.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C20H28N2OS.C2H2O4/c1-4-19(23)22(20-11-8-14-24-20)13-12-16(2)21-17(3)15-18-9-6-5-7-10-18;3-1(4)2(5)6/h5-11,14,16-17,21H,4,12-13,15H2,1-3H3;(H,3,4)(H,5,6)/p-2