4-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethylsulfanyl)acetyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethylthio)-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethylsulfanyl)acetyl]amino]-N,N-diethylbenzamide Traditional Name: N,N-diethyl-4-[[2-(piperonylthio)acetyl]amino]benzamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O4S/c1-3-23(4-2)21(25)16-6-8-17(9-7-16)22-20(24)13-28-12-15-5-10-18-19(11-15)27-14-26-18/h5-11H,3-4,12-14H2,1-2H3,(H,22,24)