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

Systemtic Name: S-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl] 3,7-bis(dimethylamino)phenothiazine-10-carbothioate Openeye Name: S-[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl] 3,7-bis(dimethylamino)phenothiazine-10-carbothioate CAS Name: 3,7-bis(dimethylamino)-10-phenothiazinecarbothioic acid S-[4-hydroxy-3-[(2-methylanilino)-oxomethyl]-1-naphthalenyl] ester IUPAC Name: S-[4-hydroxy-3-[(2-methylphenyl)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-(o-tolylcarbamoyl)-1-naphthyl] ester Formula: C35H32N4O3S2 MolecularWeight: 620.78358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C35H32N4O3S2/c1-21-10-6-9-13-27(21)36-34(41)26-20-30(24-11-7-8-12-25(24)33(26)40)44-35(42)39-28-16-14-22(37(2)3)18-31(28)43-32-19-23(38(4)5)15-17-29(32)39/h6-20,40H,1-5H3,(H,36,41)