N-[bis(azanyl)methylidene]-4-[4-[2-(1H-imidazol-2-yl)ethanethioyl]phenoxy]-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-[4-[2-(1H-imidazol-2-yl)ethanethioyl]phenoxy]-3-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-4-[4-[2-(1H-imidazol-2-yl)ethanethioyl]phenoxy]-3-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-4-[4-[2-(1H-imidazol-2-yl)-1-sulfanylideneethyl]phenoxy]-3-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-4-[4-[2-(1H-imidazol-2-yl)ethanethioyl]phenoxy]-3-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-4-[4-[2-(1H-imidazol-2-yl)thioacetyl]phenoxy]-3-mesyl-benzamide Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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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=NC=CN3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)OC2=CC=C(C=C2)C(=S)CC3=NC=CN3

InChI

InChI=1S/C20H19N5O4S2/c1-31(27,28)17-10-13(19(26)25-20(21)22)4-7-15(17)29-14-5-2-12(3-6-14)16(30)11-18-23-8-9-24-18/h2-10H,11H2,1H3,(H,23,24)(H4,21,22,25,26)