N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylsulfanyl]phenyl]cyclohexanecarboxamide CAS Name: N-[3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylthio]phenyl]cyclohexanecarboxamide Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C24H28N2O4S/c1-2-22(24(28)26-18-11-12-20-21(14-18)30-15-29-20)31-19-10-6-9-17(13-19)25-23(27)16-7-4-3-5-8-16/h6,9-14,16,22H,2-5,7-8,15H2,1H3,(H,25,27)(H,26,28)