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

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-[4-(2-quinolin-2-ylethanethioyl)phenoxy]benzamide Openeye Name: N-(diaminomethylene)-3-methylsulfonyl-4-[4-[2-(2-quinolyl)ethanethioyl]phenoxy]benzamide CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-[4-[2-(2-quinolinyl)-1-sulfanylideneethyl]phenoxy]benzamide IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-4-[4-(2-quinolin-2-ylethanethioyl)phenoxy]benzamide Traditional Name: N-(diaminomethylene)-3-mesyl-4-[4-[2-(2-quinolyl)thioacetyl]phenoxy]benzamide Formula: C26H22N4O4S2 MolecularWeight: 518.60728

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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=NC4=CC=CC=C4C=C3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)OC2=CC=C(C=C2)C(=S)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H22N4O4S2/c1-36(32,33)24-14-18(25(31)30-26(27)28)9-13-22(24)34-20-11-7-17(8-12-20)23(35)15-19-10-6-16-4-2-3-5-21(16)29-19/h2-14H,15H2,1H3,(H4,27,28,30,31)