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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,3,4-trimethoxy-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,3,4-trimethoxy-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2,3,4-trimethoxybenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,3,4-trimethoxybenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,3,4-trimethoxy-benzamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3)OC)OC

InChI

InChI=1S/C22H30N2O4S/c1-26-19-9-8-17(20(27-2)21(19)28-3)22(25)23-14-18(16-10-13-29-15-16)24-11-6-4-5-7-12-24/h8-10,13,15,18H,4-7,11-12,14H2,1-3H3,(H,23,25)