5-chloranyl-1,3-bis(morpholin-4-ylmethyl)benzimidazole-2-thione hydrate

Systemtic Name: 5-chloranyl-1,3-bis(morpholin-4-ylmethyl)benzimidazole-2-thione hydrate Openeye Name: 5-chloro-1,3-bis(morpholinomethyl)benzimidazole-2-thione hydrate CAS Name: 5-chloro-1,3-bis(4-morpholinylmethyl)-2-benzimidazolethione hydrate IUPAC Name: 5-chloro-1,3-bis(morpholin-4-ylmethyl)benzimidazole-2-thione hydrate Traditional Name: 5-chloro-1,3-bis(morpholinomethyl)benzimidazole-2-thione hydrate Formula: C17H25ClN4O3S MolecularWeight: 400.9234

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CN2C3=C(C=C(C=C3)Cl)N(C2=S)CN4CCOCC4.O

Isomeric SMILES

C1COCCN1CN2C3=C(C=C(C=C3)Cl)N(C2=S)CN4CCOCC4.O

InChI

InChI=1S/C17H23ClN4O2S.H2O/c18-14-1-2-15-16(11-14)22(13-20-5-9-24-10-6-20)17(25)21(15)12-19-3-7-23-8-4-19;/h1-2,11H,3-10,12-13H2;1H2