[4-(4-methoxybutylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(4-methoxybutylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(4-methoxybutylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(4-methoxybutylthio)phenyl] ester IUPAC Name: [4-(4-methoxybutylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(4-methoxybutylthio)phenyl] ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

COCCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C19H23N3O3S/c1-24-12-2-3-13-26-17-10-8-16(9-11-17)25-18(23)14-4-6-15(7-5-14)22-19(20)21/h4-11H,2-3,12-13H2,1H3,(H4,20,21,22)