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

Systemtic Name: ethanedioic acid; N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylidene-propanamide; hydrate Openeye Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-thioxo-propanamide; oxalic acid; hydrate CAS Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylidenepropanamide; oxalic acid; hydrate IUPAC Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylidenepropanamide; oxalic acid; hydrate Traditional Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-thioxo-propionamide; oxalic acid; hydrate Formula: C23H30N2O6S MolecularWeight: 462.5591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C(=O)N(CCCN(C)CCC1=CC=CC=C1)C2=CC=CC=C2.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC(=S)C(=O)N(CCCN(C)CCC1=CC=CC=C1)C2=CC=CC=C2.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C21H26N2OS.C2H2O4.H2O/c1-18(25)21(24)23(20-12-7-4-8-13-20)16-9-15-22(2)17-14-19-10-5-3-6-11-19;3-1(4)2(5)6;/h3-8,10-13H,9,14-17H2,1-2H3;(H,3,4)(H,5,6);1H2