ethanedioic acid; 1-[(2-methylphenyl)amino]-3-phenothiazin-10-yl-propan-2-ol

Systemtic Name: ethanedioic acid; 1-[(2-methylphenyl)amino]-3-phenothiazin-10-yl-propan-2-ol Openeye Name: 1-(2-methylanilino)-3-phenothiazin-10-yl-propan-2-ol; oxalic acid CAS Name: 1-(2-methylanilino)-3-(10-phenothiazinyl)-2-propanol; oxalic acid IUPAC Name: 1-(2-methylanilino)-3-phenothiazin-10-ylpropan-2-ol; oxalic acid Traditional Name: 1-(o-toluidino)-3-phenothiazin-10-yl-propan-2-ol; oxalic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC(CN2C3=CC=CC=C3SC4=CC=CC=C42)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1NCC(CN2C3=CC=CC=C3SC4=CC=CC=C42)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H22N2OS.C2H2O4/c1-16-8-2-3-9-18(16)23-14-17(25)15-24-19-10-4-6-12-21(19)26-22-13-7-5-11-20(22)24;3-1(4)2(5)6/h2-13,17,23,25H,14-15H2,1H3;(H,3,4)(H,5,6)