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

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-chloranyl-3-oxidanyl-benzamide Openeye Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-2-chloro-3-hydroxy-benzamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-2-chloro-3-hydroxybenzamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-2-chloro-3-hydroxybenzamide Traditional Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-2-chloro-3-hydroxy-benzamide Formula: C32H33ClN2O4S MolecularWeight: 577.13342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)C4=C(C(=CC=C4)O)Cl)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)C4=C(C(=CC=C4)O)Cl)O

InChI

InChI=1S/C32H33ClN2O4S/c1-32(2,3)35-31(39)24-12-7-6-11-22(24)18-28(37)26(34-30(38)25-13-8-14-27(36)29(25)33)19-40-23-16-15-20-9-4-5-10-21(20)17-23/h4-17,26,28,36-37H,18-19H2,1-3H3,(H,34,38)(H,35,39)