ethanedioic acid; 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenothiazin-10-yl-propan-1-amine

Systemtic Name: ethanedioic acid; 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenothiazin-10-yl-propan-1-amine Openeye Name: 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenothiazin-10-yl-propan-1-amine; oxalic acid CAS Name: 2-methyl-N-[2-(2-methyl-1-benzimidazolyl)ethyl]-3-(10-phenothiazinyl)-1-propanamine; oxalic acid IUPAC Name: 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenothiazin-10-ylpropan-1-amine; oxalic acid Traditional Name: 2-(2-methylbenzimidazol-1-yl)ethyl-(2-methyl-3-phenothiazin-10-yl-propyl)amine; oxalic acid Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCNCC(C)CN3C4=CC=CC=C4SC5=CC=CC=C53.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCNCC(C)CN3C4=CC=CC=C4SC5=CC=CC=C53.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N4S.C2H2O4/c1-19(17-27-15-16-29-20(2)28-21-9-3-4-10-22(21)29)18-30-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)30;3-1(4)2(5)6/h3-14,19,27H,15-18H2,1-2H3;(H,3,4)(H,5,6)