N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-propyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-propyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-propyl-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-propylbenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-propyl-benzamide Formula: C22H30N2OS MolecularWeight: 370.5514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C22H30N2OS/c1-2-7-18-8-10-19(11-9-18)22(25)23-16-21(20-12-15-26-17-20)24-13-5-3-4-6-14-24/h8-12,15,17,21H,2-7,13-14,16H2,1H3,(H,23,25)