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

Systemtic Name: [4-(4-oxidanylbutylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(4-hydroxybutylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(4-hydroxybutylthio)phenyl] ester IUPAC Name: [4-(4-hydroxybutylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(4-hydroxybutylthio)phenyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c19-18(20)21-14-5-3-13(4-6-14)17(23)24-15-7-9-16(10-8-15)25-12-2-1-11-22/h3-10,22H,1-2,11-12H2,(H4,19,20,21)