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

Systemtic Name: N-[bis(azanyl)methylidene]-6-methylsulfonyl-2-phenethyl-1H-benzimidazole-4-carboxamide hydrochloride Openeye Name: N-(diaminomethylene)-6-methylsulfonyl-2-phenethyl-1H-benzimidazole-4-carboxamide hydrochloride CAS Name: N-(diaminomethylidene)-6-methylsulfonyl-2-phenethyl-1H-benzimidazole-4-carboxamide hydrochloride IUPAC Name: N-(diaminomethylidene)-6-methylsulfonyl-2-phenethyl-1H-benzimidazole-4-carboxamide hydrochloride Traditional Name: N-(diaminomethylene)-6-mesyl-2-phenethyl-1H-benzimidazole-4-carboxamide hydrochloride Formula: C18H20ClN5O3S MolecularWeight: 421.9011

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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)CCC3=CC=CC=C3.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C(=C1)C(=O)N=C(N)N)N=C(N2)CCC3=CC=CC=C3.Cl

InChI

InChI=1S/C18H19N5O3S.ClH/c1-27(25,26)12-9-13(17(24)23-18(19)20)16-14(10-12)21-15(22-16)8-7-11-5-3-2-4-6-11;/h2-6,9-10H,7-8H2,1H3,(H,21,22)(H4,19,20,23,24);1H