N-(2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl)-N'-(2,4,6-trimethylphenyl)ethanediamide

Systemtic Name: N-(2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl)-N'-(2,4,6-trimethylphenyl)ethanediamide Openeye Name: N-[2-pyrrolidin-1-yl-2-(3-thienyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide CAS Name: N-[2-(1-pyrrolidinyl)-2-(3-thiophenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide IUPAC Name: N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide Traditional Name: N'-mesityl-N-[2-pyrrolidino-2-(3-thienyl)ethyl]oxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCC3)C

InChI

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