N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-[4-(2-pyridin-2-ylethanethioyl)phenoxy]benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-[4-(2-pyridin-2-ylethanethioyl)phenoxy]benzamide Openeye Name: N-(diaminomethylene)-3-methylsulfonyl-4-[4-[2-(2-pyridyl)ethanethioyl]phenoxy]benzamide CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-[4-[2-(2-pyridinyl)-1-sulfanylideneethyl]phenoxy]benzamide IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-4-[4-(2-pyridin-2-ylethanethioyl)phenoxy]benzamide Traditional Name: N-(diaminomethylene)-3-mesyl-4-[4-[2-(2-pyridyl)thioacetyl]phenoxy]benzamide Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)OC2=CC=C(C=C2)C(=S)CC3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)OC2=CC=C(C=C2)C(=S)CC3=CC=CC=N3

InChI

InChI=1S/C22H20N4O4S2/c1-32(28,29)20-12-15(21(27)26-22(23)24)7-10-18(20)30-17-8-5-14(6-9-17)19(31)13-16-4-2-3-11-25-16/h2-12H,13H2,1H3,(H4,23,24,26,27)