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

Systemtic Name: [4-(5-oxidanylpentylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(5-hydroxypentylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(5-hydroxypentylthio)phenyl] ester IUPAC Name: [4-(5-hydroxypentylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(5-hydroxypentylthio)phenyl] ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)SCCCCCO)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)SCCCCCO)N=C(N)N

InChI

InChI=1S/C19H23N3O3S/c20-19(21)22-15-6-4-14(5-7-15)18(24)25-16-8-10-17(11-9-16)26-13-3-1-2-12-23/h4-11,23H,1-3,12-13H2,(H4,20,21,22)