calcium 2-(benzimidazol-1-id-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline

Systemtic Name: calcium 2-(benzimidazol-1-id-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline Openeye Name: calcium 2-(benzimidazol-1-id-2-ylsulfinylmethyl)-N-isobutyl-N-methyl-aniline CAS Name: calcium 2-(2-benzimidazol-1-idylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline IUPAC Name: calcium 2-(benzimidazol-1-id-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline Traditional Name: calcium [2-(benzimidazol-1-id-2-ylsulfinylmethyl)phenyl]-isobutyl-methyl-amine Formula: C38H44CaN6O2S2 MolecularWeight: 721.00296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3[N-]2.CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3[N-]2.[Ca+2]

Isomeric SMILES

CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3[N-]2.CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3[N-]2.[Ca+2]

InChI

InChI=1S/2C19H22N3OS.Ca/c2*1-14(2)12-22(3)18-11-7-4-8-15(18)13-24(23)19-20-16-9-5-6-10-17(16)21-19;/h2*4-11,14H,12-13H2,1-3H3;/q2*-1;+2