N'-(3-methylsulfanylphenyl)-N-(2-piperidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide

Systemtic Name: N'-(3-methylsulfanylphenyl)-N-(2-piperidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide Openeye Name: N'-(3-methylsulfanylphenyl)-N-[2-(1-piperidyl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-[3-(methylthio)phenyl]-N-[2-(1-piperidinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(3-methylsulfanylphenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide Traditional Name: N'-[3-(methylthio)phenyl]-N-[2-piperidino-2-(3-thienyl)ethyl]oxamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCC3

InChI

InChI=1S/C20H25N3O2S2/c1-26-17-7-5-6-16(12-17)22-20(25)19(24)21-13-18(15-8-11-27-14-15)23-9-3-2-4-10-23/h5-8,11-12,14,18H,2-4,9-10,13H2,1H3,(H,21,24)(H,22,25)