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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

InChI

InChI=1S/C22H29N3O2S/c1-16-8-7-9-19(17(16)2)24-22(27)21(26)23-14-20(18-10-13-28-15-18)25-11-5-3-4-6-12-25/h7-10,13,15,20H,3-6,11-12,14H2,1-2H3,(H,23,26)(H,24,27)