ethanedioic acid; N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylidene-ethanamide; hydrate

Systemtic Name: ethanedioic acid; N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylidene-ethanamide; hydrate Openeye Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-thioxo-acetamide; oxalic acid; hydrate CAS Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylideneacetamide; oxalic acid; hydrate IUPAC Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylideneacetamide; oxalic acid; hydrate Traditional Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-thioxo-acetamide; oxalic acid; hydrate Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN(C1=CC=CC=C1)C(=O)C=S)CCC2=CC=CC=C2.C(=O)(C(=O)O)O.O

Isomeric SMILES

CN(CCCN(C1=CC=CC=C1)C(=O)C=S)CCC2=CC=CC=C2.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C20H24N2OS.C2H2O4.H2O/c1-21(16-13-18-9-4-2-5-10-18)14-8-15-22(20(23)17-24)19-11-6-3-7-12-19;3-1(4)2(5)6;/h2-7,9-12,17H,8,13-16H2,1H3;(H,3,4)(H,5,6);1H2