N-(1,3-benzodioxol-5-ylmethyl)-2-(2-bromophenyl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-bromophenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-bromophenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-bromophenyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-bromophenyl)sulfanylpropanamide Traditional Name: 2-[(2-bromophenyl)thio]-N-piperonyl-propionamide Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3Br

InChI

InChI=1S/C17H16BrNO3S/c1-11(23-16-5-3-2-4-13(16)18)17(20)19-9-12-6-7-14-15(8-12)22-10-21-14/h2-8,11H,9-10H2,1H3,(H,19,20)