N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-5-oxidanyl-benzamide

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-5-oxidanyl-benzamide Openeye Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-5-hydroxy-2-methyl-benzamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-5-hydroxy-2-methylbenzamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-5-hydroxy-2-methylbenzamide Traditional Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-5-hydroxy-2-methyl-benzamide Formula: C33H36N2O4S MolecularWeight: 556.71494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)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=C(C=C1)O)C(=O)NC(CSC2=CC3=CC=CC=C3C=C2)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O

InChI

InChI=1S/C33H36N2O4S/c1-21-13-15-25(36)19-28(21)31(38)34-29(20-40-26-16-14-22-9-5-6-10-23(22)17-26)30(37)18-24-11-7-8-12-27(24)32(39)35-33(2,3)4/h5-17,19,29-30,36-37H,18,20H2,1-4H3,(H,34,38)(H,35,39)