N-(1,3-benzodioxol-5-ylmethyl)-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-chlorophenyl)methylthio]methyl]-2-furancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide Traditional Name: 5-[[(3-chlorobenzyl)thio]methyl]-N-piperonyl-2-furamide Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(O3)CSCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(O3)CSCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H18ClNO4S/c22-16-3-1-2-15(8-16)11-28-12-17-5-7-19(27-17)21(24)23-10-14-4-6-18-20(9-14)26-13-25-18/h1-9H,10-13H2,(H,23,24)