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

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: 2-methoxy-N-[3-(methylthio)-1-(piperonylcarbamoyl)propyl]benzamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O5S/c1-26-17-6-4-3-5-15(17)20(24)23-16(9-10-29-2)21(25)22-12-14-7-8-18-19(11-14)28-13-27-18/h3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,25)(H,23,24)