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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(3-methoxyphenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3-methoxyphenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3-methoxyphenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3-methoxyphenyl)oxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-27-18-8-6-7-17(13-18)23-21(26)20(25)22-14-19(16-9-12-28-15-16)24-10-4-2-3-5-11-24/h6-9,12-13,15,19H,2-5,10-11,14H2,1H3,(H,22,25)(H,23,26)