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

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-1-methyl-indole-4-carboxamide Openeye Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-1-methyl-indole-4-carboxamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-1-methyl-4-indolecarboxamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-1-methylindole-4-carboxamide Traditional Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-1-methyl-indole-4-carboxamide Formula: C35H37N3O3S MolecularWeight: 579.75158

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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)C)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)C)O

InChI

InChI=1S/C35H37N3O3S/c1-35(2,3)37-34(41)27-13-8-7-12-25(27)21-32(39)30(22-42-26-17-16-23-10-5-6-11-24(23)20-26)36-33(40)29-14-9-15-31-28(29)18-19-38(31)4/h5-20,30,32,39H,21-22H2,1-4H3,(H,36,40)(H,37,41)