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

Systemtic Name: ethanedioic acid; N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylidene-heptanamide Openeye Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-thioxo-heptanamide; oxalic acid CAS Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylideneheptanamide; oxalic acid IUPAC Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylideneheptanamide; oxalic acid Traditional Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-thioxo-enanthamide; oxalic acid Formula: C27H36N2O5S MolecularWeight: 500.65014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2OS.C2H2O4/c1-3-4-7-17-24(29)25(28)27(23-15-10-6-11-16-23)20-12-19-26(2)21-18-22-13-8-5-9-14-22;3-1(4)2(5)6/h5-6,8-11,13-16H,3-4,7,12,17-21H2,1-2H3;(H,3,4)(H,5,6)