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

Systemtic Name: 5-azanyl-N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-chloranyl-benzamide Openeye Name: 5-amino-N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-2-chloro-benzamide CAS Name: 5-amino-N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-2-chlorobenzamide IUPAC Name: 5-amino-N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-2-chlorobenzamide Traditional Name: 5-amino-N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-2-chloro-benzamide Formula: C32H34ClN3O3S MolecularWeight: 576.14866

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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)N)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)N)Cl)O

InChI

InChI=1S/C32H34ClN3O3S/c1-32(2,3)36-31(39)25-11-7-6-10-22(25)17-29(37)28(35-30(38)26-18-23(34)13-15-27(26)33)19-40-24-14-12-20-8-4-5-9-21(20)16-24/h4-16,18,28-29,37H,17,19,34H2,1-3H3,(H,35,38)(H,36,39)