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

Systemtic Name: ethanedioic acid; 2-methyl-3-phenothiazin-10-yl-N-[2-[2-(phenylmethyl)benzimidazol-1-yl]ethyl]propan-1-amine Openeye Name: N-[2-(2-benzylbenzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-yl-propan-1-amine; oxalic acid CAS Name: 2-methyl-3-(10-phenothiazinyl)-N-[2-[2-(phenylmethyl)-1-benzimidazolyl]ethyl]-1-propanamine; oxalic acid IUPAC Name: N-[2-(2-benzylbenzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-ylpropan-1-amine; oxalic acid Traditional Name: 2-(2-benzylbenzimidazol-1-yl)ethyl-(2-methyl-3-phenothiazin-10-yl-propyl)amine; oxalic acid Formula: C34H34N4O4S MolecularWeight: 594.72316

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCN1C2=CC=CC=C2N=C1CC3=CC=CC=C3)CN4C5=CC=CC=C5SC6=CC=CC=C64.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CNCCN1C2=CC=CC=C2N=C1CC3=CC=CC=C3)CN4C5=CC=CC=C5SC6=CC=CC=C64.C(=O)(C(=O)O)O

InChI

InChI=1S/C32H32N4S.C2H2O4/c1-24(23-36-28-15-7-9-17-30(28)37-31-18-10-8-16-29(31)36)22-33-19-20-35-27-14-6-5-13-26(27)34-32(35)21-25-11-3-2-4-12-25;3-1(4)2(5)6/h2-18,24,33H,19-23H2,1H3;(H,3,4)(H,5,6)