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

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-3-(2-pyridin-4-ylethanoylamino)benzamide Openeye Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-2-methyl-3-[[2-(4-pyridyl)acetyl]amino]benzamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-2-methyl-3-[(1-oxo-2-pyridin-4-ylethyl)amino]benzamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-2-methyl-3-[(2-pyridin-4-ylacetyl)amino]benzamide Traditional Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-2-methyl-3-[[2-(4-pyridyl)acetyl]amino]benzamide Formula: C40H42N4O4S MolecularWeight: 674.85088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CC2=CC=NC=C2)C(=O)NC(CSC3=CC4=CC=CC=C4C=C3)C(CC5=CC=CC=C5C(=O)NC(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CC2=CC=NC=C2)C(=O)NC(CSC3=CC4=CC=CC=C4C=C3)C(CC5=CC=CC=C5C(=O)NC(C)(C)C)O

InChI

InChI=1S/C40H42N4O4S/c1-26-32(14-9-15-34(26)42-37(46)22-27-18-20-41-21-19-27)38(47)43-35(25-49-31-17-16-28-10-5-6-11-29(28)23-31)36(45)24-30-12-7-8-13-33(30)39(48)44-40(2,3)4/h5-21,23,35-36,45H,22,24-25H2,1-4H3,(H,42,46)(H,43,47)(H,44,48)