[4-(3-oxidanylpropylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(3-oxidanylpropylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(3-hydroxypropylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(3-hydroxypropylthio)phenyl] ester IUPAC Name: [4-(3-hydroxypropylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(3-hydroxypropylthio)phenyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c18-17(19)20-13-4-2-12(3-5-13)16(22)23-14-6-8-15(9-7-14)24-11-1-10-21/h2-9,21H,1,10-11H2,(H4,18,19,20)