S-[3-(methylcarbamothioylamino)phenyl] N-[6-[(2-methanoylphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-N-tetradecyl-carbamothioate

Systemtic Name: S-[3-(methylcarbamothioylamino)phenyl] N-[6-[(2-methanoylphenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]-N-tetradecyl-carbamothioate Openeye Name: S-[3-(methylcarbamothioylamino)phenyl] N-[6-[(2-formylphenyl)carbamoyl]-5-hydroxy-1-naphthyl]-N-tetradecyl-carbamothioate CAS Name: N-[6-[(2-formylanilino)-oxomethyl]-5-hydroxy-1-naphthalenyl]-N-tetradecylcarbamothioic acid S-[3-[[methylamino(sulfanylidene)methyl]amino]phenyl] ester IUPAC Name: S-[3-(methylcarbamothioylamino)phenyl] N-[6-[(2-formylphenyl)carbamoyl]-5-hydroxynaphthalen-1-yl]-N-tetradecylcarbamothioate Traditional Name: N-[6-[(2-formylphenyl)carbamoyl]-5-hydroxy-1-naphthyl]-N-myristyl-thiocarbamic acid S-[3-(methylthiocarbamoylamino)phenyl] ester Formula: C41H50N4O4S2 MolecularWeight: 726.9901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN(C1=CC=CC2=C1C=CC(=C2O)C(=O)NC3=CC=CC=C3C=O)C(=O)SC4=CC=CC(=C4)NC(=S)NC

Isomeric SMILES

CCCCCCCCCCCCCCN(C1=CC=CC2=C1C=CC(=C2O)C(=O)NC3=CC=CC=C3C=O)C(=O)SC4=CC=CC(=C4)NC(=S)NC

InChI

InChI=1S/C41H50N4O4S2/c1-3-4-5-6-7-8-9-10-11-12-13-16-27-45(41(49)51-32-21-17-20-31(28-32)43-40(50)42-2)37-24-18-22-34-33(37)25-26-35(38(34)47)39(48)44-36-23-15-14-19-30(36)29-46/h14-15,17-26,28-29,47H,3-13,16,27H2,1-2H3,(H,44,48)(H2,42,43,50)