S-[4-oxidanyl-3-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl] 3,7-bis(dimethylamino)phenothiazine-10-carbothioate

Systemtic Name: S-[4-oxidanyl-3-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl] 3,7-bis(dimethylamino)phenothiazine-10-carbothioate Openeye Name: S-[4-hydroxy-3-[(2-tetradecoxyphenyl)carbamoyl]-1-naphthyl] 3,7-bis(dimethylamino)phenothiazine-10-carbothioate CAS Name: 3,7-bis(dimethylamino)-10-phenothiazinecarbothioic acid S-[4-hydroxy-3-[oxo-(2-tetradecoxyanilino)methyl]-1-naphthalenyl] ester IUPAC Name: S-[4-hydroxy-3-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl] 3,7-bis(dimethylamino)phenothiazine-10-carbothioate Traditional Name: 3,7-bis(dimethylamino)phenothiazine-10-carbothioic acid S-[4-hydroxy-3-[(2-myristyloxyphenyl)carbamoyl]-1-naphthyl] ester Formula: C48H58N4O4S2 MolecularWeight: 819.12852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC(=O)N4C5=C(C=C(C=C5)N(C)C)SC6=C4C=CC(=C6)N(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC(=O)N4C5=C(C=C(C=C5)N(C)C)SC6=C4C=CC(=C6)N(C)C)O

InChI

InChI=1S/C48H58N4O4S2/c1-6-7-8-9-10-11-12-13-14-15-16-21-30-56-42-25-20-19-24-39(42)49-47(54)38-33-43(36-22-17-18-23-37(36)46(38)53)58-48(55)52-40-28-26-34(50(2)3)31-44(40)57-45-32-35(51(4)5)27-29-41(45)52/h17-20,22-29,31-33,53H,6-16,21,30H2,1-5H3,(H,49,54)