N-[bis(azanyl)methylidene]-4-but-3-en-2-yl-2-ethyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-but-3-en-2-yl-2-ethyl-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-(1-methylallyl)-5-methylsulfonyl-benzamide CAS Name: 4-but-3-en-2-yl-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide IUPAC Name: 4-but-3-en-2-yl-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-mesyl-4-(1-methylallyl)benzamide Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)C(C)C=C

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)C(C)C=C

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/h5,7-9H,1,6H2,2-4H3,(H4,16,17,18,19)