N-[4-[2-(1H-benzimidazol-2-yl)ethanethioyl]phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide dihydrochloride

Systemtic Name: N-[4-[2-(1H-benzimidazol-2-yl)ethanethioyl]phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide dihydrochloride Openeye Name: N-[4-[2-(1H-benzimidazol-2-yl)ethanethioyl]phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide dihydrochloride CAS Name: N-[4-[2-(1H-benzimidazol-2-yl)-1-sulfanylideneethyl]phenoxy]-N-carbamimidoyl-3-methylsulfonylbenzamide dihydrochloride IUPAC Name: N-[4-[2-(1H-benzimidazol-2-yl)ethanethioyl]phenoxy]-N-carbamimidoyl-3-methylsulfonylbenzamide dihydrochloride Traditional Name: N-amidino-N-[4-[2-(1H-benzimidazol-2-yl)thioacetyl]phenoxy]-3-mesyl-benzamide dihydrochloride Formula: C24H23Cl2N5O4S2 MolecularWeight: 580.50652

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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=C4N3.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=C4N3.Cl.Cl

InChI

InChI=1S/C24H21N5O4S2.2ClH/c1-35(31,32)18-6-4-5-16(13-18)23(30)29(24(25)26)33-17-11-9-15(10-12-17)21(34)14-22-27-19-7-2-3-8-20(19)28-22;;/h2-13H,14H2,1H3,(H3,25,26)(H,27,28);2*1H