ethanedioic acid; N-[4-[methyl(phenethyl)amino]butyl]-N-phenyl-2-sulfanylidene-ethanamide; hydrate

Systemtic Name: ethanedioic acid; N-[4-[methyl(phenethyl)amino]butyl]-N-phenyl-2-sulfanylidene-ethanamide; hydrate Openeye Name: N-[4-[methyl(phenethyl)amino]butyl]-N-phenyl-2-thioxo-acetamide; oxalic acid; hydrate CAS Name: N-[4-[methyl(phenethyl)amino]butyl]-N-phenyl-2-sulfanylideneacetamide; oxalic acid; hydrate IUPAC Name: N-[4-[methyl(phenethyl)amino]butyl]-N-phenyl-2-sulfanylideneacetamide; oxalic acid; hydrate Traditional Name: N-[4-[methyl(phenethyl)amino]butyl]-N-phenyl-2-thioxo-acetamide; oxalic acid; hydrate Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2OS.C2H2O4.H2O/c1-22(17-14-19-10-4-2-5-11-19)15-8-9-16-23(21(24)18-25)20-12-6-3-7-13-20;3-1(4)2(5)6;/h2-7,10-13,18H,8-9,14-17H2,1H3;(H,3,4)(H,5,6);1H2