N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-2-methyl-benzamide

Systemtic Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-2-methyl-benzamide Openeye Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-2-methyl-benzamide CAS Name: N-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]thio]phenyl]-2-methylbenzamide IUPAC Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide Traditional Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]-2-methyl-benzamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)SC(C)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)SC(C)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H24N2O4S/c1-16-6-3-4-9-21(16)25(29)27-18-7-5-8-20(14-18)32-17(2)24(28)26-19-10-11-22-23(15-19)31-13-12-30-22/h3-11,14-15,17H,12-13H2,1-2H3,(H,26,28)(H,27,29)