[4-(5-propan-2-yloxypentylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(5-propan-2-yloxypentylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(5-isopropoxypentylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(5-propan-2-yloxypentylthio)phenyl] ester IUPAC Name: [4-(5-propan-2-yloxypentylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(5-isopropoxypentylthio)phenyl] ester Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CC(C)OCCCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C22H29N3O3S/c1-16(2)27-14-4-3-5-15-29-20-12-10-19(11-13-20)28-21(26)17-6-8-18(9-7-17)25-22(23)24/h6-13,16H,3-5,14-15H2,1-2H3,(H4,23,24,25)