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

Systemtic Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C29H30N2O4S MolecularWeight: 502.6245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C29H30N2O4S/c32-28(21-10-5-2-6-11-21)30-22-12-7-13-24(18-22)36-27(20-8-3-1-4-9-20)29(33)31-23-14-15-25-26(19-23)35-17-16-34-25/h1,3-4,7-9,12-15,18-19,21,27H,2,5-6,10-11,16-17H2,(H,30,32)(H,31,33)