N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-(trifluoromethyl)benzamide dihydrochloride

Systemtic Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-(trifluoromethyl)benzamide dihydrochloride Openeye Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-(trifluoromethyl)benzamide dihydrochloride CAS Name: N-carbamimidoyl-N-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-(trifluoromethyl)benzamide dihydrochloride IUPAC Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-(trifluoromethyl)benzamide dihydrochloride Traditional Name: N-amidino-N-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-(trifluoromethyl)benzamide dihydrochloride Formula: C20H25Cl2F3N4O2S MolecularWeight: 513.40431

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)C(F)(F)F)C(=N)N.Cl.Cl

Isomeric SMILES

CN(C)CCSCC1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)C(F)(F)F)C(=N)N.Cl.Cl

InChI

InChI=1S/C20H23F3N4O2S.2ClH/c1-26(2)10-11-30-13-14-6-8-17(9-7-14)29-27(19(24)25)18(28)15-4-3-5-16(12-15)20(21,22)23;;/h3-9,12H,10-11,13H2,1-2H3,(H3,24,25);2*1H