N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-quinolin-2-ylcarbonyl-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-quinolin-2-ylcarbonyl-3,4-dihydro-1H-isoquinoline-5-carboxamide Openeye Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-2-(quinoline-2-carbonyl)-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-[oxo(2-quinolinyl)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-(quinoline-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxamide Traditional Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-2-quinaldoyl-3,4-dihydro-1H-isoquinoline-5-carboxamide Formula: C45H44N4O4S MolecularWeight: 736.92026

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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)C6=NC7=CC=CC=C7C=C6)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)C6=NC7=CC=CC=C7C=C6)O

InChI

InChI=1S/C45H44N4O4S/c1-45(2,3)48-43(52)36-16-8-6-14-32(36)26-41(50)40(28-54-34-21-19-29-11-4-5-13-31(29)25-34)47-42(51)37-17-10-15-33-27-49(24-23-35(33)37)44(53)39-22-20-30-12-7-9-18-38(30)46-39/h4-22,25,40-41,50H,23-24,26-28H2,1-3H3,(H,47,51)(H,48,52)