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

Systemtic Name: 3,5-bis(azanyl)-N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-benzamide Openeye Name: 3,5-diamino-N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-2-methyl-benzamide CAS Name: 3,5-diamino-N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-2-methylbenzamide IUPAC Name: 3,5-diamino-N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-2-methylbenzamide Traditional Name: 3,5-diamino-N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-2-methyl-benzamide Formula: C33H38N4O3S MolecularWeight: 570.74482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC(CSC2=CC3=CC=CC=C3C=C2)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O)N)N

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC(CSC2=CC3=CC=CC=C3C=C2)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O)N)N

InChI

InChI=1S/C33H38N4O3S/c1-20-27(17-24(34)18-28(20)35)31(39)36-29(19-41-25-14-13-21-9-5-6-10-22(21)15-25)30(38)16-23-11-7-8-12-26(23)32(40)37-33(2,3)4/h5-15,17-18,29-30,38H,16,19,34-35H2,1-4H3,(H,36,39)(H,37,40)