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

Systemtic Name: [4-(2-methoxyethylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(2-methoxyethylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(2-methoxyethylthio)phenyl] ester IUPAC Name: [4-(2-methoxyethylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-methoxyethylthio)phenyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

COCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C17H19N3O3S/c1-22-10-11-24-15-8-6-14(7-9-15)23-16(21)12-2-4-13(5-3-12)20-17(18)19/h2-9H,10-11H2,1H3,(H4,18,19,20)