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

Systemtic Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-methyl-benzamide Openeye Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propylsulfanyl]phenyl]-4-methyl-benzamide CAS Name: N-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl]thio]phenyl]-4-methylbenzamide IUPAC Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]-4-methylbenzamide Traditional Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propylthio]phenyl]-4-methyl-benzamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H26N2O4S/c1-3-24(26(30)28-20-11-12-22-23(16-20)32-14-13-31-22)33-21-6-4-5-19(15-21)27-25(29)18-9-7-17(2)8-10-18/h4-12,15-16,24H,3,13-14H2,1-2H3,(H,27,29)(H,28,30)