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

Systemtic Name: [4-(2-ethoxyethylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate carbonate Openeye Name: [4-(2-ethoxyethylsulfanyl)phenyl] 4-guanidinobenzoate carbonate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(2-ethoxyethylthio)phenyl] ester carbonate IUPAC Name: [4-(2-ethoxyethylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate carbonate Traditional Name: 4-guanidinobenzoic acid [4-(2-ethoxyethylthio)phenyl] ester carbonate Formula: C19H21N3O6S-2 MolecularWeight: 419.45154

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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.C(=O)([O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S.CH2O3/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;2-1(3)4/h3-10H,2,11-12H2,1H3,(H4,19,20,21);(H2,2,3,4)/p-2