[4-(3-methoxypropylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(3-methoxypropylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(3-methoxypropylsulfanyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(3-methoxypropylthio)phenyl] ester IUPAC Name: [4-(3-methoxypropylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(3-methoxypropylthio)phenyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

COCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

COCCCSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C18H21N3O3S/c1-23-11-2-12-25-16-9-7-15(8-10-16)24-17(22)13-3-5-14(6-4-13)21-18(19)20/h3-10H,2,11-12H2,1H3,(H4,19,20,21)