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

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methylsulfanyl-propyl]-2-bromo-benzamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-bromobenzamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-bromobenzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-(piperonylcarbamoyl)propyl]benzamide Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H21BrN2O4S/c1-28-9-8-16(23-19(24)14-4-2-3-5-15(14)21)20(25)22-11-13-6-7-17-18(10-13)27-12-26-17/h2-7,10,16H,8-9,11-12H2,1H3,(H,22,25)(H,23,24)