N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]benzamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-N-piperonyl-benzamide Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)CSCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)CSCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H21N3O4S2/c29-23(13-33-14-24-28-19-7-3-4-8-22(19)34-24)27-18-6-2-1-5-17(18)25(30)26-12-16-9-10-20-21(11-16)32-15-31-20/h1-11H,12-15H2,(H,26,30)(H,27,29)