1-(1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-propan-1-amine; ethanedioic acid

Systemtic Name: 1-(1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-propan-1-amine; ethanedioic acid Openeye Name: 1-(1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-propan-1-amine; oxalic acid CAS Name: 1-(1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-(methylthio)-1-propanamine; oxalic acid IUPAC Name: 1-(1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylsulfanylpropan-1-amine; oxalic acid Traditional Name: [1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-p-anisyl-amine; oxalic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(CCSC)C2=NC3=CC=CC=C3N2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC(CCSC)C2=NC3=CC=CC=C3N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3OS.C2H2O4/c1-23-15-9-7-14(8-10-15)13-20-18(11-12-24-2)19-21-16-5-3-4-6-17(16)22-19;3-1(4)2(5)6/h3-10,18,20H,11-13H2,1-2H3,(H,21,22);(H,3,4)(H,5,6)