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

Systemtic Name: S-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl] 3-(diethylamino)-7-(dimethylamino)phenothiazine-10-carbothioate Openeye Name: S-[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl] 3-(diethylamino)-7-(dimethylamino)phenothiazine-10-carbothioate CAS Name: 3-(diethylamino)-7-(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-(diethylamino)-7-(dimethylamino)phenothiazine-10-carbothioate Traditional Name: 3-(diethylamino)-7-(dimethylamino)phenothiazine-10-carbothioic acid S-[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl] ester Formula: C37H36N4O3S2 MolecularWeight: 648.83674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)SC4=CC(=C(C5=CC=CC=C54)O)C(=O)NC6=CC=CC=C6C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)SC4=CC(=C(C5=CC=CC=C54)O)C(=O)NC6=CC=CC=C6C

InChI

InChI=1S/C37H36N4O3S2/c1-6-40(7-2)25-17-19-31-34(21-25)45-33-20-24(39(4)5)16-18-30(33)41(31)37(44)46-32-22-28(35(42)27-14-10-9-13-26(27)32)36(43)38-29-15-11-8-12-23(29)3/h8-22,42H,6-7H2,1-5H3,(H,38,43)