N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-5-carboxamide

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-5-carboxamide Openeye Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-2-methyl-3,4-dihydro-1H-isoquinoline-5-carboxamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-5-carboxamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-5-carboxamide Traditional Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-2-methyl-3,4-dihydro-1H-isoquinoline-5-carboxamide Formula: C36H41N3O3S MolecularWeight: 595.79404

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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=C5CCN(CC5=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=C5CCN(CC5=CC=C4)C)O

InChI

InChI=1S/C36H41N3O3S/c1-36(2,3)38-35(42)30-14-8-7-12-26(30)21-33(40)32(23-43-28-17-16-24-10-5-6-11-25(24)20-28)37-34(41)31-15-9-13-27-22-39(4)19-18-29(27)31/h5-17,20,32-33,40H,18-19,21-23H2,1-4H3,(H,37,41)(H,38,42)