N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-3,4-bis(oxidanyl)benzamide

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-3,4-bis(oxidanyl)benzamide Openeye Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-3,4-dihydroxy-2-methyl-benzamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-3,4-dihydroxy-2-methylbenzamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-3,4-dihydroxy-2-methylbenzamide Traditional Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-3,4-dihydroxy-2-methyl-benzamide Formula: C33H36N2O5S MolecularWeight: 572.71434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)O)C(=O)NC(CSC2=CC3=CC=CC=C3C=C2)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1O)O)C(=O)NC(CSC2=CC3=CC=CC=C3C=C2)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O

InChI

InChI=1S/C33H36N2O5S/c1-20-25(15-16-28(36)30(20)38)31(39)34-27(19-41-24-14-13-21-9-5-6-10-22(21)17-24)29(37)18-23-11-7-8-12-26(23)32(40)35-33(2,3)4/h5-17,27,29,36-38H,18-19H2,1-4H3,(H,34,39)(H,35,40)