2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-tert-butyl-2-methoxy-phenyl)benzamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-tert-butyl-2-methoxy-phenyl)benzamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(5-tert-butyl-2-methoxy-phenyl)benzamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(5-tert-butyl-2-methoxyphenyl)benzamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(5-tert-butyl-2-methoxyphenyl)benzamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(5-tert-butyl-2-methoxy-phenyl)benzamide Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H28N2O5S/c1-27(2,3)17-9-11-21(32-4)20(13-17)29-26(31)19-7-5-6-8-24(19)35-15-25(30)28-18-10-12-22-23(14-18)34-16-33-22/h5-14H,15-16H2,1-4H3,(H,28,30)(H,29,31)