N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-2-furancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide Traditional Name: 5-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-piperonyl-2-furamide Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=C(O3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=C(O3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N2O5S/c1-13-3-2-4-17-20(13)24-22(29-17)30-11-15-6-8-18(28-15)21(25)23-10-14-5-7-16-19(9-14)27-12-26-16/h2-9H,10-12H2,1H3,(H,23,25)