N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3,4,5-triethoxy-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4,5-triethoxybenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3,4,5-triethoxy-benzamide Formula: C25H36N2O4S MolecularWeight: 460.62934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C25H36N2O4S/c1-4-29-22-15-20(16-23(30-5-2)24(22)31-6-3)25(28)26-17-21(19-11-14-32-18-19)27-12-9-7-8-10-13-27/h11,14-16,18,21H,4-10,12-13,17H2,1-3H3,(H,26,28)