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

Systemtic Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(2S)-2-(1-azepanyl)-2-thiophen-2-ylethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(2S)-2-(azepan-1-yl)-2-(2-thienyl)ethyl]-3,4,5-trimethoxy-benzamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(C2=CC=CS2)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC[C@@H](C2=CC=CS2)N3CCCCCC3

InChI

InChI=1S/C22H30N2O4S/c1-26-18-13-16(14-19(27-2)21(18)28-3)22(25)23-15-17(20-9-8-12-29-20)24-10-6-4-5-7-11-24/h8-9,12-14,17H,4-7,10-11,15H2,1-3H3,(H,23,25)/t17-/m0/s1