N'-(2-ethyl-6-methyl-phenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide

Systemtic Name: N'-(2-ethyl-6-methyl-phenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide Openeye Name: N'-(2-ethyl-6-methyl-phenyl)-N-[2-pyrrolidin-1-yl-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(2-ethyl-6-methylphenyl)-N-[2-(1-pyrrolidinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(2-ethyl-6-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide Traditional Name: N'-(2-ethyl-6-methyl-phenyl)-N-[2-pyrrolidino-2-(3-thienyl)ethyl]oxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCC3)C

InChI

InChI=1S/C21H27N3O2S/c1-3-16-8-6-7-15(2)19(16)23-21(26)20(25)22-13-18(17-9-12-27-14-17)24-10-4-5-11-24/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,22,25)(H,23,26)