N-[bis(azanyl)methylidene]-2-ethyl-4-(5-iodanyl-2,5-dimethyl-1H-imidazol-2-yl)-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-(5-iodanyl-2,5-dimethyl-1H-imidazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-(5-iodo-2,5-dimethyl-1H-imidazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-(5-iodo-2,5-dimethyl-1H-imidazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-(5-iodo-2,5-dimethyl-1H-imidazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-4-(4-iodo-2,4-dimethyl-3-imidazolin-2-yl)-3-mesyl-benzamide Formula: C16H22IN5O3S MolecularWeight: 491.34705

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)C2(NC(C=N2)(C)I)C)C(=O)N=C(N)N

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)C2(NC(C=N2)(C)I)C)C(=O)N=C(N)N

InChI

InChI=1S/C16H22IN5O3S/c1-5-9-10(13(23)21-14(18)19)6-7-11(12(9)26(4,24)25)16(3)20-8-15(2,17)22-16/h6-8,22H,5H2,1-4H3,(H4,18,19,21,23)