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

Systemtic Name: 4-azanyl-N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-3-oxidanyl-benzamide Openeye Name: 4-amino-N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-3-hydroxy-benzamide CAS Name: 4-amino-N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-3-hydroxybenzamide IUPAC Name: 4-amino-N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-3-hydroxybenzamide Traditional Name: 4-amino-N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-3-hydroxy-benzamide Formula: C32H35N3O4S MolecularWeight: 557.703

Click to see the large picture

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=CC(=C(C=C4)N)O)O

Isomeric SMILES

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

InChI

InChI=1S/C32H35N3O4S/c1-32(2,3)35-31(39)25-11-7-6-10-22(25)17-29(37)27(34-30(38)23-13-15-26(33)28(36)18-23)19-40-24-14-12-20-8-4-5-9-21(20)16-24/h4-16,18,27,29,36-37H,17,19,33H2,1-3H3,(H,34,38)(H,35,39)