N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(4-methylphenyl)ethanediamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(4-methylphenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(p-tolyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(4-methylphenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(4-methylphenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(p-tolyl)oxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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