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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CCNCCCN3C4=CC=CC=C4SC5=CC=CC=C53.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CCNCCCN3C4=CC=CC=C4SC5=CC=CC=C53.C(=O)(C(=O)O)O

InChI

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