N-[bis(azanyl)methylidene]-6-methylsulfonyl-2-(phenylmethylsulfanyl)-1H-benzimidazole-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-6-methylsulfonyl-2-(phenylmethylsulfanyl)-1H-benzimidazole-4-carboxamide Openeye Name: 2-benzylsulfanyl-N-(diaminomethylene)-6-methylsulfonyl-1H-benzimidazole-4-carboxamide CAS Name: N-(diaminomethylidene)-6-methylsulfonyl-2-(phenylmethylthio)-1H-benzimidazole-4-carboxamide IUPAC Name: 2-benzylsulfanyl-N-(diaminomethylidene)-6-methylsulfonyl-1H-benzimidazole-4-carboxamide Traditional Name: 2-(benzylthio)-N-(diaminomethylene)-6-mesyl-1H-benzimidazole-4-carboxamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C(=C1)C(=O)N=C(N)N)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C(=C1)C(=O)N=C(N)N)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H17N5O3S2/c1-27(24,25)11-7-12(15(23)22-16(18)19)14-13(8-11)20-17(21-14)26-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,20,21)(H4,18,19,22,23)