[4-oxidanyl-8-[phenoxycarbothioyl(phenyl)amino]-3-(tetradecylcarbamoyl)naphthalen-1-yl] ethanoate

Systemtic Name: [4-oxidanyl-8-[phenoxycarbothioyl(phenyl)amino]-3-(tetradecylcarbamoyl)naphthalen-1-yl] ethanoate Openeye Name: [4-hydroxy-8-(N-phenoxycarbothioylanilino)-3-(tetradecylcarbamoyl)-1-naphthyl] acetate CAS Name: acetic acid [4-hydroxy-3-[oxo-(tetradecylamino)methyl]-8-(N-[phenoxy(sulfanylidene)methyl]anilino)-1-naphthalenyl] ester IUPAC Name: [4-hydroxy-8-(N-phenoxycarbothioylanilino)-3-(tetradecylcarbamoyl)naphthalen-1-yl] acetate Traditional Name: acetic acid [4-hydroxy-3-(myristylcarbamoyl)-8-(N-phenoxycarbothioylanilino)-1-naphthyl] ester Formula: C40H48N2O5S MolecularWeight: 668.88452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2N(C3=CC=CC=C3)C(=S)OC4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2N(C3=CC=CC=C3)C(=S)OC4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C40H48N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-20-28-41-39(45)34-29-36(46-30(2)43)37-33(38(34)44)26-21-27-35(37)42(31-22-16-14-17-23-31)40(48)47-32-24-18-15-19-25-32/h14-19,21-27,29,44H,3-13,20,28H2,1-2H3,(H,41,45)