N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-ethyl-6-methyl-phenyl)ethanediamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-ethyl-6-methyl-phenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-ethyl-6-methyl-phenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(2-ethyl-6-methylphenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-ethyl-6-methylphenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-ethyl-6-methyl-phenyl)oxamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3)C

InChI

InChI=1S/C23H31N3O2S/c1-3-18-10-8-9-17(2)21(18)25-23(28)22(27)24-15-20(19-11-14-29-16-19)26-12-6-4-5-7-13-26/h8-11,14,16,20H,3-7,12-13,15H2,1-2H3,(H,24,27)(H,25,28)