5-methyl-N-[8-nitro-5-oxidanyl-6-(phenylcarbamoyl)naphthalen-1-yl]-4-(propylsulfanylmethyl)-N-tetradecyl-imidazole-1-carboxamide

Systemtic Name: 5-methyl-N-[8-nitro-5-oxidanyl-6-(phenylcarbamoyl)naphthalen-1-yl]-4-(propylsulfanylmethyl)-N-tetradecyl-imidazole-1-carboxamide Openeye Name: N-[5-hydroxy-8-nitro-6-(phenylcarbamoyl)-1-naphthyl]-5-methyl-4-(propylsulfanylmethyl)-N-tetradecyl-imidazole-1-carboxamide CAS Name: N-[6-[anilino(oxo)methyl]-5-hydroxy-8-nitro-1-naphthalenyl]-5-methyl-4-[(propylthio)methyl]-N-tetradecyl-1-imidazolecarboxamide IUPAC Name: N-[5-hydroxy-8-nitro-6-(phenylcarbamoyl)naphthalen-1-yl]-5-methyl-4-(propylsulfanylmethyl)-N-tetradecylimidazole-1-carboxamide Traditional Name: N-[5-hydroxy-8-nitro-6-(phenylcarbamoyl)-1-naphthyl]-5-methyl-N-myristyl-4-[(propylthio)methyl]imidazole-1-carboxamide Formula: C40H53N5O5S MolecularWeight: 715.94432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN(C1=CC=CC2=C(C(=CC(=C21)[N+](=O)[O-])C(=O)NC3=CC=CC=C3)O)C(=O)N4C=NC(=C4C)CSCCC

Isomeric SMILES

CCCCCCCCCCCCCCN(C1=CC=CC2=C(C(=CC(=C21)[N+](=O)[O-])C(=O)NC3=CC=CC=C3)O)C(=O)N4C=NC(=C4C)CSCCC

InChI

InChI=1S/C40H53N5O5S/c1-4-6-7-8-9-10-11-12-13-14-15-19-25-43(40(48)44-29-41-34(30(44)3)28-51-26-5-2)35-24-20-23-32-37(35)36(45(49)50)27-33(38(32)46)39(47)42-31-21-17-16-18-22-31/h16-18,20-24,27,29,46H,4-15,19,25-26,28H2,1-3H3,(H,42,47)