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

Systemtic Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-(trifluoromethyl)benzamide dihydrochloride Openeye Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-(trifluoromethyl)benzamide dihydrochloride CAS Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylthio)phenoxy]-3-(trifluoromethyl)benzamide dihydrochloride IUPAC Name: N-carbamimidoyl-N-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-(trifluoromethyl)benzamide dihydrochloride Traditional Name: N-amidino-N-[4-(2-dimethylaminoethylthio)phenoxy]-3-(trifluoromethyl)benzamide dihydrochloride Formula: C19H23Cl2F3N4O2S MolecularWeight: 499.37773

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)C(F)(F)F)C(=N)N.Cl.Cl

Isomeric SMILES

CN(C)CCSC1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)C(F)(F)F)C(=N)N.Cl.Cl

InChI

InChI=1S/C19H21F3N4O2S.2ClH/c1-25(2)10-11-29-16-8-6-15(7-9-16)28-26(18(23)24)17(27)13-4-3-5-14(12-13)19(20,21)22;;/h3-9,12H,10-11H2,1-2H3,(H3,23,24);2*1H