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

Systemtic Name: N-carbamimidoyl-N-[4-[2-(1H-imidazol-2-yl)ethanethioyl]phenoxy]-3-methylsulfonyl-benzamide dihydrochloride Openeye Name: N-carbamimidoyl-N-[4-[2-(1H-imidazol-2-yl)ethanethioyl]phenoxy]-3-methylsulfonyl-benzamide dihydrochloride CAS Name: N-carbamimidoyl-N-[4-[2-(1H-imidazol-2-yl)-1-sulfanylideneethyl]phenoxy]-3-methylsulfonylbenzamide dihydrochloride IUPAC Name: N-carbamimidoyl-N-[4-[2-(1H-imidazol-2-yl)ethanethioyl]phenoxy]-3-methylsulfonylbenzamide dihydrochloride Traditional Name: N-amidino-N-[4-[2-(1H-imidazol-2-yl)thioacetyl]phenoxy]-3-mesyl-benzamide dihydrochloride Formula: C20H21Cl2N5O4S2 MolecularWeight: 530.44784

Click to see the large picture

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=NC=CN3.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=NC=CN3.Cl.Cl

InChI

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