ethanedioic acid; 1-(phenethylamino)-3-phenothiazin-10-yl-propan-2-ol

Systemtic Name: ethanedioic acid; 1-(phenethylamino)-3-phenothiazin-10-yl-propan-2-ol Openeye Name: oxalic acid; 1-(phenethylamino)-3-phenothiazin-10-yl-propan-2-ol CAS Name: oxalic acid; 1-(phenethylamino)-3-(10-phenothiazinyl)-2-propanol IUPAC Name: oxalic acid; 1-(phenethylamino)-3-phenothiazin-10-ylpropan-2-ol Traditional Name: oxalic acid; 1-(phenethylamino)-3-phenothiazin-10-yl-propan-2-ol Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC(CN2C3=CC=CC=C3SC4=CC=CC=C42)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC(CN2C3=CC=CC=C3SC4=CC=CC=C42)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N2OS.C2H2O4/c26-19(16-24-15-14-18-8-2-1-3-9-18)17-25-20-10-4-6-12-22(20)27-23-13-7-5-11-21(23)25;3-1(4)2(5)6/h1-13,19,24,26H,14-17H2;(H,3,4)(H,5,6)