N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-chlorophenoxy)-2-methyl-propanamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(4-chlorophenoxy)-2-methylpropanamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-chlorophenoxy)-2-methylpropanamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-chlorophenoxy)-2-methyl-propionamide Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCC(C1=CSC=C1)N2CCCCCC2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NCC(C1=CSC=C1)N2CCCCCC2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H29ClN2O2S/c1-22(2,27-19-9-7-18(23)8-10-19)21(26)24-15-20(17-11-14-28-16-17)25-12-5-3-4-6-13-25/h7-11,14,16,20H,3-6,12-13,15H2,1-2H3,(H,24,26)