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

Systemtic Name: [4-(2-propan-2-yloxyethylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(2-isopropoxyethylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(2-propan-2-yloxyethylthio)phenyl] ester IUPAC Name: [4-(2-propan-2-yloxyethylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-isopropoxyethylthio)phenyl] ester Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CC(C)OCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C19H23N3O3S/c1-13(2)24-11-12-26-17-9-7-16(8-10-17)25-18(23)14-3-5-15(6-4-14)22-19(20)21/h3-10,13H,11-12H2,1-2H3,(H4,20,21,22)