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

Systemtic Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-(2-quinolin-2-ylethanethioyl)phenoxy]benzamide dihydrochloride Openeye Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-[2-(2-quinolyl)ethanethioyl]phenoxy]benzamide dihydrochloride CAS Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-[2-(2-quinolinyl)-1-sulfanylideneethyl]phenoxy]benzamide dihydrochloride IUPAC Name: N-carbamimidoyl-3-methylsulfonyl-N-[4-(2-quinolin-2-ylethanethioyl)phenoxy]benzamide dihydrochloride Traditional Name: N-amidino-3-mesyl-N-[4-[2-(2-quinolyl)thioacetyl]phenoxy]benzamide dihydrochloride Formula: C26H24Cl2N4O4S2 MolecularWeight: 591.52916

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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=NC4=CC=CC=C4C=C3.Cl.Cl

Isomeric SMILES

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

InChI

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