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

Systemtic Name: N'-(3-acetamidophenyl)-N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-(3-acetamidophenyl)-N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(3-acetamidophenyl)-N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(3-acetamidophenyl)-N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N'-(3-acetamidophenyl)-N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]oxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C22H28N4O3S/c1-16(27)24-18-7-6-8-19(13-18)25-22(29)21(28)23-14-20(17-9-12-30-15-17)26-10-4-2-3-5-11-26/h6-9,12-13,15,20H,2-5,10-11,14H2,1H3,(H,23,28)(H,24,27)(H,25,29)