N-carbamimidoyl-3-methylsulfonyl-N-[4-(2-pyridin-2-ylethanethioyl)phenoxy]benzamide

Systemtic Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-(2-pyridin-2-ylethanethioyl)phenoxy]benzamide Openeye Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-[2-(2-pyridyl)ethanethioyl]phenoxy]benzamide CAS Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-[2-(2-pyridinyl)-1-sulfanylideneethyl]phenoxy]benzamide IUPAC Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-(2-pyridin-2-ylethanethioyl)phenoxy]benzamide Traditional Name: N-amidino-3-mesyl-N-[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=CC=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=CC=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)19-7-4-5-16(13-19)21(27)26(22(23)24)30-18-10-8-15(9-11-18)20(31)14-17-6-2-3-12-25-17/h2-13H,14H2,1H3,(H3,23,24)