N-(3-azanylpropyl)-7-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanylidene-1,3-dihydrobenzimidazole-5-carboxamide

Systemtic Name: N-(3-azanylpropyl)-7-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanylidene-1,3-dihydrobenzimidazole-5-carboxamide Openeye Name: N-(3-aminopropyl)-7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide CAS Name: N-(3-aminopropyl)-7-[(6-chloro-1H-benzimidazol-2-yl)thio]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide IUPAC Name: N-(3-aminopropyl)-7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide Traditional Name: N-(3-aminopropyl)-7-[(6-chloro-1H-benzimidazol-2-yl)thio]-2-keto-1,3-dihydrobenzimidazole-5-carboxamide Formula: C18H17ClN6O2S MolecularWeight: 416.88458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC(=N2)SC3=CC(=CC4=C3NC(=O)N4)C(=O)NCCCN

Isomeric SMILES

C1=CC2=C(C=C1Cl)NC(=N2)SC3=CC(=CC4=C3NC(=O)N4)C(=O)NCCCN

InChI

InChI=1S/C18H17ClN6O2S/c19-10-2-3-11-12(8-10)24-18(23-11)28-14-7-9(16(26)21-5-1-4-20)6-13-15(14)25-17(27)22-13/h2-3,6-8H,1,4-5,20H2,(H,21,26)(H,23,24)(H2,22,25,27)