N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-3-(3,5-dimethoxyphenyl)propanamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-3-(3,5-dimethoxyphenyl)propanamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-3-(3,5-dimethoxyphenyl)propanamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-3-(3,5-dimethoxyphenyl)propanamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-3-(3,5-dimethoxyphenyl)propanamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-3-(3,5-dimethoxyphenyl)propionamide Formula: C18H22BrNO3S2 MolecularWeight: 444.40618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)NCCSCC2=CC=C(S2)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)NCCSCC2=CC=C(S2)Br)OC

InChI

InChI=1S/C18H22BrNO3S2/c1-22-14-9-13(10-15(11-14)23-2)3-6-18(21)20-7-8-24-12-16-4-5-17(19)25-16/h4-5,9-11H,3,6-8,12H2,1-2H3,(H,20,21)