1,3-bis[(4-chloranyl-3-propoxy-phenyl)sulfanylmethyl]-2H-benzimidazol-2-amine chloride

Systemtic Name: 1,3-bis[(4-chloranyl-3-propoxy-phenyl)sulfanylmethyl]-2H-benzimidazol-2-amine chloride Openeye Name: 1,3-bis[(4-chloro-3-propoxy-phenyl)sulfanylmethyl]-2H-benzimidazol-2-amine chloride CAS Name: 1,3-bis[[(4-chloro-3-propoxyphenyl)thio]methyl]-2H-benzimidazol-2-amine chloride IUPAC Name: 1,3-bis[(4-chloro-3-propoxyphenyl)sulfanylmethyl]-2H-benzimidazol-2-amine chloride Traditional Name: [1,3-bis[[(4-chloro-3-propoxy-phenyl)thio]methyl]-2H-benzimidazol-2-yl]amine chloride Formula: C27H31Cl3N3O2S2- MolecularWeight: 600.04294

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)SCN2C(N(C3=CC=CC=C32)CSC4=CC(=C(C=C4)Cl)OCCC)N)Cl.[Cl-]

Isomeric SMILES

CCCOC1=C(C=CC(=C1)SCN2C(N(C3=CC=CC=C32)CSC4=CC(=C(C=C4)Cl)OCCC)N)Cl.[Cl-]

InChI

InChI=1S/C27H31Cl2N3O2S2.ClH/c1-3-13-33-25-15-19(9-11-21(25)28)35-17-31-23-7-5-6-8-24(23)32(27(31)30)18-36-20-10-12-22(29)26(16-20)34-14-4-2;/h5-12,15-16,27H,3-4,13-14,17-18,30H2,1-2H3;1H/p-1