N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]furan-2-carboxamide

Systemtic Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]furan-2-carboxamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]furan-2-carboxamide CAS Name: N-[3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]-2-furamide Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H18N2O5S/c1-13(20(24)22-15-7-8-17-19(11-15)28-12-27-17)29-16-5-2-4-14(10-16)23-21(25)18-6-3-9-26-18/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25)