[4-(2-ethoxyethylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonate

Systemtic Name: [4-(2-ethoxyethylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonate Openeye Name: [4-(2-ethoxyethylsulfanyl)phenyl] 4-guanidinobenzoate; methanesulfonate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(2-ethoxyethylthio)phenyl] ester; methanesulfonate IUPAC Name: [4-(2-ethoxyethylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate; methanesulfonate Traditional Name: 4-guanidinobenzoic acid [4-(2-ethoxyethylthio)phenyl] ester mesylate Formula: C19H24N3O6S2- MolecularWeight: 454.54036

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CCOCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C18H21N3O3S.CH4O3S/c1-2-23-11-12-25-16-9-7-15(8-10-16)24-17(22)13-3-5-14(6-4-13)21-18(19)20;1-5(2,3)4/h3-10H,2,11-12H2,1H3,(H4,19,20,21);1H3,(H,2,3,4)/p-1