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

Systemtic Name: N-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-2-methyl-benzamide Openeye Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-2-methyl-benzamide CAS Name: N-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]thio]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide Traditional Name: N-[4-[[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=C(C=C2)SC(C)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

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

InChI

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