N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-3-isoxazolyl)methylthio]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-piperonyl-benzamide Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O4S/c1-13-8-15(22-26-13)11-27-19-5-3-2-4-16(19)20(23)21-10-14-6-7-17-18(9-14)25-12-24-17/h2-9H,10-12H2,1H3,(H,21,23)