N-[bis(azanyl)methylidene]-2-bromanyl-3-methylsulfonyl-4-propyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-bromanyl-3-methylsulfonyl-4-propyl-benzamide Openeye Name: 2-bromo-N-(diaminomethylene)-3-methylsulfonyl-4-propyl-benzamide CAS Name: 2-bromo-N-(diaminomethylidene)-3-methylsulfonyl-4-propylbenzamide IUPAC Name: 2-bromo-N-(diaminomethylidene)-3-methylsulfonyl-4-propylbenzamide Traditional Name: 2-bromo-N-(diaminomethylene)-3-mesyl-4-propyl-benzamide Formula: C12H16BrN3O3S MolecularWeight: 362.24274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)Br)S(=O)(=O)C

Isomeric SMILES

CCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)Br)S(=O)(=O)C

InChI

InChI=1S/C12H16BrN3O3S/c1-3-4-7-5-6-8(11(17)16-12(14)15)9(13)10(7)20(2,18)19/h5-6H,3-4H2,1-2H3,(H4,14,15,16,17)