[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl] 3,7-bis(dimethylamino)phenothiazine-10-carboxylate

Systemtic Name: [3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl] 3,7-bis(dimethylamino)phenothiazine-10-carboxylate Openeye Name: [3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-hydroxy-1-naphthyl] 3,7-bis(dimethylamino)phenothiazine-10-carboxylate CAS Name: 3,7-bis(dimethylamino)-10-phenothiazinecarboxylic acid [3-[(2-dodecoxy-5-methylanilino)-oxomethyl]-4-hydroxy-1-naphthalenyl] ester IUPAC Name: [3-[(2-dodecoxy-5-methylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl] 3,7-bis(dimethylamino)phenothiazine-10-carboxylate Traditional Name: 3,7-bis(dimethylamino)phenothiazine-10-carboxylic acid [4-hydroxy-3-[(2-lauryloxy-5-methyl-phenyl)carbamoyl]-1-naphthyl] ester Formula: C47H56N4O5S MolecularWeight: 789.03634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC(=O)N4C5=C(C=C(C=C5)N(C)C)SC6=C4C=CC(=C6)N(C)C)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC(=O)N4C5=C(C=C(C=C5)N(C)C)SC6=C4C=CC(=C6)N(C)C)O

InChI

InChI=1S/C47H56N4O5S/c1-7-8-9-10-11-12-13-14-15-18-27-55-41-26-21-32(2)28-38(41)48-46(53)37-31-42(35-19-16-17-20-36(35)45(37)52)56-47(54)51-39-24-22-33(49(3)4)29-43(39)57-44-30-34(50(5)6)23-25-40(44)51/h16-17,19-26,28-31,52H,7-15,18,27H2,1-6H3,(H,48,53)