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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-phenyl-oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-phenyloxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-phenyloxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-phenyl-oxamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C(=O)NC2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C(=O)NC2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C20H25N3O2S/c24-19(20(25)22-17-8-4-3-5-9-17)21-14-18(16-10-13-26-15-16)23-11-6-1-2-7-12-23/h3-5,8-10,13,15,18H,1-2,6-7,11-12,14H2,(H,21,24)(H,22,25)