2-(diethylamino)-N-methyl-N-(4-phenylsulfanylphenyl)ethanamide; ethanedioic acid; hydrate

Systemtic Name: 2-(diethylamino)-N-methyl-N-(4-phenylsulfanylphenyl)ethanamide; ethanedioic acid; hydrate Openeye Name: 2-(diethylamino)-N-methyl-N-(4-phenylsulfanylphenyl)acetamide; oxalic acid; hydrate CAS Name: 2-(diethylamino)-N-methyl-N-[4-(phenylthio)phenyl]acetamide; oxalic acid; hydrate IUPAC Name: 2-(diethylamino)-N-methyl-N-(4-phenylsulfanylphenyl)acetamide; oxalic acid; hydrate Traditional Name: 2-(diethylamino)-N-methyl-N-[4-(phenylthio)phenyl]acetamide; oxalic acid; hydrate Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)N(C)C1=CC=C(C=C1)SC2=CC=CC=C2.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCN(CC)CC(=O)N(C)C1=CC=C(C=C1)SC2=CC=CC=C2.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C19H24N2OS.C2H2O4.H2O/c1-4-21(5-2)15-19(22)20(3)16-11-13-18(14-12-16)23-17-9-7-6-8-10-17;3-1(4)2(5)6;/h6-14H,4-5,15H2,1-3H3;(H,3,4)(H,5,6);1H2