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

Systemtic Name: N'-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N-[(4-methylphenyl)methyl]ethanediamide Openeye Name: N'-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N-(p-tolylmethyl)oxamide CAS Name: N'-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N-[(4-methylphenyl)methyl]oxamide IUPAC Name: N'-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide Traditional Name: N'-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N-(4-methylbenzyl)oxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-17-6-8-18(9-7-17)14-23-21(26)22(27)24-15-20(19-10-13-28-16-19)25-11-4-2-3-5-12-25/h6-10,13,16,20H,2-5,11-12,14-15H2,1H3,(H,23,26)(H,24,27)