2-[3-[(3-azanyl-2-chloranyl-phenyl)carbonylamino]-4-naphthalen-2-ylsulfanyl-2-oxidanyl-butyl]-N-tert-butyl-naphthalene-1-carboxamide

Systemtic Name: 2-[3-[(3-azanyl-2-chloranyl-phenyl)carbonylamino]-4-naphthalen-2-ylsulfanyl-2-oxidanyl-butyl]-N-tert-butyl-naphthalene-1-carboxamide Openeye Name: 2-[3-[(3-amino-2-chloro-benzoyl)amino]-2-hydroxy-4-(2-naphthylsulfanyl)butyl]-N-tert-butyl-naphthalene-1-carboxamide CAS Name: 2-[3-[[(3-amino-2-chlorophenyl)-oxomethyl]amino]-2-hydroxy-4-(2-naphthalenylthio)butyl]-N-tert-butyl-1-naphthalenecarboxamide IUPAC Name: 2-[3-[(3-amino-2-chlorobenzoyl)amino]-2-hydroxy-4-naphthalen-2-ylsulfanylbutyl]-N-tert-butylnaphthalene-1-carboxamide Traditional Name: 2-[3-[(3-amino-2-chloro-benzoyl)amino]-2-hydroxy-4-(2-naphthylthio)butyl]-N-tert-butyl-1-naphthamide Formula: C36H36ClN3O3S MolecularWeight: 626.20734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CC(C(CSC3=CC4=CC=CC=C4C=C3)NC(=O)C5=C(C(=CC=C5)N)Cl)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CC(C(CSC3=CC4=CC=CC=C4C=C3)NC(=O)C5=C(C(=CC=C5)N)Cl)O

InChI

InChI=1S/C36H36ClN3O3S/c1-36(2,3)40-35(43)32-25(16-15-23-10-6-7-12-27(23)32)20-31(41)30(39-34(42)28-13-8-14-29(38)33(28)37)21-44-26-18-17-22-9-4-5-11-24(22)19-26/h4-19,30-31,41H,20-21,38H2,1-3H3,(H,39,42)(H,40,43)