N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-ethylphenyl)ethanediamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-ethylphenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-ethylphenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(2-ethylphenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-ethylphenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-ethylphenyl)oxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C22H29N3O2S/c1-2-17-9-5-6-10-19(17)24-22(27)21(26)23-15-20(18-11-14-28-16-18)25-12-7-3-4-8-13-25/h5-6,9-11,14,16,20H,2-4,7-8,12-13,15H2,1H3,(H,23,26)(H,24,27)