[4-(3-propan-2-yloxypropylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(3-propan-2-yloxypropylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(3-isopropoxypropylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(3-propan-2-yloxypropylthio)phenyl] ester IUPAC Name: [4-(3-propan-2-yloxypropylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(3-isopropoxypropylthio)phenyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CC(C)OCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C20H25N3O3S/c1-14(2)25-12-3-13-27-18-10-8-17(9-11-18)26-19(24)15-4-6-16(7-5-15)23-20(21)22/h4-11,14H,3,12-13H2,1-2H3,(H4,21,22,23)