1-[(2,5-dimethylphenyl)amino]-3-phenothiazin-10-yl-propan-2-ol; ethanedioic acid

Systemtic Name: 1-[(2,5-dimethylphenyl)amino]-3-phenothiazin-10-yl-propan-2-ol; ethanedioic acid Openeye Name: 1-(2,5-dimethylanilino)-3-phenothiazin-10-yl-propan-2-ol; oxalic acid CAS Name: 1-(2,5-dimethylanilino)-3-(10-phenothiazinyl)-2-propanol; oxalic acid IUPAC Name: 1-(2,5-dimethylanilino)-3-phenothiazin-10-ylpropan-2-ol; oxalic acid Traditional Name: 1-(2,5-dimethylanilino)-3-phenothiazin-10-yl-propan-2-ol; oxalic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NCC(CN2C3=CC=CC=C3SC4=CC=CC=C42)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NCC(CN2C3=CC=CC=C3SC4=CC=CC=C42)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N2OS.C2H2O4/c1-16-11-12-17(2)19(13-16)24-14-18(26)15-25-20-7-3-5-9-22(20)27-23-10-6-4-8-21(23)25;3-1(4)2(5)6/h3-13,18,24,26H,14-15H2,1-2H3;(H,3,4)(H,5,6)