N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2,4,6-trimethylphenyl)ethanediamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2,4,6-trimethylphenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-mesityl-oxamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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