N-[1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide

Systemtic Name: N-[1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide Openeye Name: N-[1-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-3-methylsulfanyl-propyl]-2-bromo-benzamide CAS Name: N-[1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-2-bromobenzamide IUPAC Name: N-[1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-bromobenzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-[(piperonyloylamino)carbamoyl]propyl]benzamide Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CSCCC(C(=O)NNC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H20BrN3O5S/c1-30-9-8-15(22-19(26)13-4-2-3-5-14(13)21)20(27)24-23-18(25)12-6-7-16-17(10-12)29-11-28-16/h2-7,10,15H,8-9,11H2,1H3,(H,22,26)(H,23,25)(H,24,27)