N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(3,5-dimethylphenyl)ethanediamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(3,5-dimethylphenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3,5-dimethylphenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(3,5-dimethylphenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3,5-dimethylphenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3,5-dimethylphenyl)oxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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