N-[bis(azanyl)methylidene]-4-[(E)-but-2-en-2-yl]-2-ethyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-[(E)-but-2-en-2-yl]-2-ethyl-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-[(E)-1-methylprop-1-enyl]-5-methylsulfonyl-benzamide CAS Name: 4-[(E)-but-2-en-2-yl]-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide IUPAC Name: 4-[(E)-but-2-en-2-yl]-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-mesyl-4-[(E)-1-methylprop-1-enyl]benzamide Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=CC)C)S(=O)(=O)C)C(=O)N=C(N)N

Isomeric SMILES

CCC1=C(C=C(C(=C1)/C(=C/C)/C)S(=O)(=O)C)C(=O)N=C(N)N

InChI

InChI=1S/C15H21N3O3S/c1-5-9(3)11-7-10(6-2)12(14(19)18-15(16)17)8-13(11)22(4,20)21/h5,7-8H,6H2,1-4H3,(H4,16,17,18,19)/b9-5+