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

Systemtic Name: [4-(4-propan-2-yloxybutylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(4-isopropoxybutylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(4-propan-2-yloxybutylthio)phenyl] ester IUPAC Name: [4-(4-propan-2-yloxybutylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(4-isopropoxybutylthio)phenyl] ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CC(C)OCCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C21H27N3O3S/c1-15(2)26-13-3-4-14-28-19-11-9-18(10-12-19)27-20(25)16-5-7-17(8-6-16)24-21(22)23/h5-12,15H,3-4,13-14H2,1-2H3,(H4,22,23,24)