[4-(5-ethoxypentylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(5-ethoxypentylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(5-ethoxypentylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(5-ethoxypentylthio)phenyl] ester IUPAC Name: [4-(5-ethoxypentylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(5-ethoxypentylthio)phenyl] ester Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CCOCCCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C21H27N3O3S/c1-2-26-14-4-3-5-15-28-19-12-10-18(11-13-19)27-20(25)16-6-8-17(9-7-16)24-21(22)23/h6-13H,2-5,14-15H2,1H3,(H4,22,23,24)