N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-1-(2-morpholin-4-ylethyl)indole-4-carboxamide

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-1-(2-morpholin-4-ylethyl)indole-4-carboxamide Openeye Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-1-(2-morpholinoethyl)indole-4-carboxamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-1-[2-(4-morpholinyl)ethyl]-4-indolecarboxamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-1-(2-morpholin-4-ylethyl)indole-4-carboxamide Traditional Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-1-(2-morpholinoethyl)indole-4-carboxamide Formula: C40H46N4O4S MolecularWeight: 678.88264

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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=C5C=CN(C5=CC=C4)CCN6CCOCC6)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)C4=C5C=CN(C5=CC=C4)CCN6CCOCC6)O

InChI

InChI=1S/C40H46N4O4S/c1-40(2,3)42-39(47)32-12-7-6-11-30(32)26-37(45)35(27-49-31-16-15-28-9-4-5-10-29(28)25-31)41-38(46)34-13-8-14-36-33(34)17-18-44(36)20-19-43-21-23-48-24-22-43/h4-18,25,35,37,45H,19-24,26-27H2,1-3H3,(H,41,46)(H,42,47)