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

Systemtic Name: N-[2-(benzimidazol-1-yl)ethyl]-3-phenothiazin-10-yl-propan-1-amine; ethanedioic acid Openeye Name: N-[2-(benzimidazol-1-yl)ethyl]-3-phenothiazin-10-yl-propan-1-amine; oxalic acid CAS Name: N-[2-(1-benzimidazolyl)ethyl]-3-(10-phenothiazinyl)-1-propanamine; oxalic acid IUPAC Name: N-[2-(benzimidazol-1-yl)ethyl]-3-phenothiazin-10-ylpropan-1-amine; oxalic acid Traditional Name: 2-(benzimidazol-1-yl)ethyl-(3-phenothiazin-10-ylpropyl)amine; oxalic acid Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CCNCCCN3C4=CC=CC=C4SC5=CC=CC=C53.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCNCCCN3C4=CC=CC=C4SC5=CC=CC=C53.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H24N4S.C2H2O4/c1-2-9-20-19(8-1)26-18-27(20)17-15-25-14-7-16-28-21-10-3-5-12-23(21)29-24-13-6-4-11-22(24)28;3-1(4)2(5)6/h1-6,8-13,18,25H,7,14-17H2;(H,3,4)(H,5,6)