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

Systemtic Name: S-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl] 3-(dimethylamino)-7-oxidanyl-phenothiazine-10-carbothioate Openeye Name: S-[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl] 3-(dimethylamino)-7-hydroxy-phenothiazine-10-carbothioate CAS Name: 3-(dimethylamino)-7-hydroxy-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-(dimethylamino)-7-hydroxyphenothiazine-10-carbothioate Traditional Name: 3-(dimethylamino)-7-hydroxy-phenothiazine-10-carbothioic acid S-[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl] ester Formula: C33H27N3O4S2 MolecularWeight: 593.71518

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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)O)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)O)O

InChI

InChI=1S/C33H27N3O4S2/c1-19-8-4-7-11-25(19)34-32(39)24-18-28(22-9-5-6-10-23(22)31(24)38)42-33(40)36-26-14-12-20(35(2)3)16-29(26)41-30-17-21(37)13-15-27(30)36/h4-18,37-38H,1-3H3,(H,34,39)