N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]benzamide Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)CCCSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)CCCSC4=NC5=CC=CC=C5S4

InChI

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