S-(7H-purin-6-yl) N-[6-[(2-methoxyphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-N-tetradecyl-carbamothioate

Systemtic Name: S-(7H-purin-6-yl) N-[6-[(2-methoxyphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-N-tetradecyl-carbamothioate Openeye Name: S-(7H-purin-6-yl) N-[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]-N-tetradecyl-carbamothioate CAS Name: N-[5-hydroxy-6-[(2-methoxyanilino)-oxomethyl]-1-naphthalenyl]-N-tetradecylcarbamothioic acid S-(7H-purin-6-yl) ester IUPAC Name: S-(7H-purin-6-yl) N-[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]-N-tetradecylcarbamothioate Traditional Name: N-[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]-N-myristyl-thiocarbamic acid S-(7H-purin-6-yl) ester Formula: C38H46N6O4S MolecularWeight: 682.87464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN(C1=CC=CC2=C1C=CC(=C2O)C(=O)NC3=CC=CC=C3OC)C(=O)SC4=NC=NC5=C4NC=N5

Isomeric SMILES

CCCCCCCCCCCCCCN(C1=CC=CC2=C1C=CC(=C2O)C(=O)NC3=CC=CC=C3OC)C(=O)SC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C38H46N6O4S/c1-3-4-5-6-7-8-9-10-11-12-13-16-24-44(38(47)49-37-33-35(40-25-39-33)41-26-42-37)31-20-17-18-28-27(31)22-23-29(34(28)45)36(46)43-30-19-14-15-21-32(30)48-2/h14-15,17-23,25-26,45H,3-13,16,24H2,1-2H3,(H,43,46)(H,39,40,41,42)