3-(1,3-benzodioxol-5-yl)-N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]propionamide Formula: C17H18BrNO3S2 MolecularWeight: 428.36372

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NCCSCC3=CC=C(S3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NCCSCC3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrNO3S2/c18-16-5-3-13(24-16)10-23-8-7-19-17(20)6-2-12-1-4-14-15(9-12)22-11-21-14/h1,3-5,9H,2,6-8,10-11H2,(H,19,20)