N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-(quinolin-2-ylmethyl)-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-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxamide Openeye Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-2-(2-quinolylmethyl)-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-(2-quinolinylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxamide Traditional Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-2-(2-quinolylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxamide Formula: C45H46N4O3S MolecularWeight: 722.93674

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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)CC6=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)CC6=NC7=CC=CC=C7C=C6)O

InChI

InChI=1S/C45H46N4O3S/c1-45(2,3)48-44(52)38-16-8-6-14-33(38)26-42(50)41(29-53-36-22-20-30-11-4-5-13-32(30)25-36)47-43(51)39-17-10-15-34-27-49(24-23-37(34)39)28-35-21-19-31-12-7-9-18-40(31)46-35/h4-22,25,41-42,50H,23-24,26-29H2,1-3H3,(H,47,51)(H,48,52)