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

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C28H28N2O4S MolecularWeight: 488.59792

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)OCO5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H28N2O4S/c31-27(20-10-5-2-6-11-20)29-21-12-7-13-23(16-21)35-26(19-8-3-1-4-9-19)28(32)30-22-14-15-24-25(17-22)34-18-33-24/h1,3-4,7-9,12-17,20,26H,2,5-6,10-11,18H2,(H,29,31)(H,30,32)