[4-(5-methoxypentylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(5-methoxypentylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(5-methoxypentylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(5-methoxypentylthio)phenyl] ester IUPAC Name: [4-(5-methoxypentylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(5-methoxypentylthio)phenyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

COCCCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C20H25N3O3S/c1-25-13-3-2-4-14-27-18-11-9-17(10-12-18)26-19(24)15-5-7-16(8-6-15)23-20(21)22/h5-12H,2-4,13-14H2,1H3,(H4,21,22,23)