[4-(2-hydroxyethylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(2-hydroxyethylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(2-hydroxyethylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(2-hydroxyethylthio)phenyl] ester IUPAC Name: [4-(2-hydroxyethylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-hydroxyethylthio)phenyl] ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c17-16(18)19-12-3-1-11(2-4-12)15(21)22-13-5-7-14(8-6-13)23-10-9-20/h1-8,20H,9-10H2,(H4,17,18,19)