dodecyl 2-[butyl-[5-oxidanyl-6-(phenylcarbamoyl)naphthalen-1-yl]carbamoyl]sulfanyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: dodecyl 2-[butyl-[5-oxidanyl-6-(phenylcarbamoyl)naphthalen-1-yl]carbamoyl]sulfanyl-1,3-benzothiazole-6-carboxylate Openeye Name: dodecyl 2-[butyl-[5-hydroxy-6-(phenylcarbamoyl)-1-naphthyl]carbamoyl]sulfanyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[6-[anilino(oxo)methyl]-5-hydroxy-1-naphthalenyl]-butylamino]-oxomethyl]thio]-1,3-benzothiazole-6-carboxylic acid dodecyl ester IUPAC Name: dodecyl 2-[butyl-[5-hydroxy-6-(phenylcarbamoyl)naphthalen-1-yl]carbamoyl]sulfanyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[butyl-[5-hydroxy-6-(phenylcarbamoyl)-1-naphthyl]carbamoyl]thio]-1,3-benzothiazole-6-carboxylic acid lauryl ester Formula: C42H49N3O5S2 MolecularWeight: 739.98556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)SC(=O)N(CCCC)C3=CC=CC4=C3C=CC(=C4O)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)SC(=O)N(CCCC)C3=CC=CC4=C3C=CC(=C4O)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C42H49N3O5S2/c1-3-5-7-8-9-10-11-12-13-17-28-50-40(48)30-23-26-35-37(29-30)51-41(44-35)52-42(49)45(27-6-4-2)36-22-18-21-33-32(36)24-25-34(38(33)46)39(47)43-31-19-15-14-16-20-31/h14-16,18-26,29,46H,3-13,17,27-28H2,1-2H3,(H,43,47)