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

Systemtic Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propylsulfanyl]phenyl]cyclohexanecarboxamide CAS Name: N-[3-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propylthio]phenyl]cyclohexanecarboxamide Formula: C25H30N2O4S MolecularWeight: 454.5817

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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)C4CCCCC4

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C25H30N2O4S/c1-2-23(25(29)27-19-11-12-21-22(16-19)31-14-13-30-21)32-20-10-6-9-18(15-20)26-24(28)17-7-4-3-5-8-17/h6,9-12,15-17,23H,2-5,7-8,13-14H2,1H3,(H,26,28)(H,27,29)