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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[(2-bromophenyl)methylsulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[(2-bromophenyl)methylsulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(2-bromophenyl)methylthio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[(2-bromophenyl)methylsulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(2-bromobenzyl)thio]propionamide Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSCC3=CC=CC=C3Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSCC3=CC=CC=C3Br

InChI

InChI=1S/C17H16BrNO3S/c18-14-4-2-1-3-12(14)10-23-8-7-17(20)19-13-5-6-15-16(9-13)22-11-21-15/h1-6,9H,7-8,10-11H2,(H,19,20)