[4-[4-[5,5-dimethyl-2,4-bis(oxidanylidene)-1,3-oxazolidin-3-yl]butylsulfanyl]phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-[4-[5,5-dimethyl-2,4-bis(oxidanylidene)-1,3-oxazolidin-3-yl]butylsulfanyl]phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-[4-(5,5-dimethyl-2,4-dioxo-oxazolidin-3-yl)butylsulfanyl]phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[4-(5,5-dimethyl-2,4-dioxo-3-oxazolidinyl)butylthio]phenyl] ester IUPAC Name: [4-[4-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)butylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-[4-(2,4-diketo-5,5-dimethyl-oxazolidin-3-yl)butylthio]phenyl] ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)O1)CCCCSC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N)C

Isomeric SMILES

CC1(C(=O)N(C(=O)O1)CCCCSC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N)C

InChI

InChI=1S/C23H26N4O5S/c1-23(2)20(29)27(22(30)32-23)13-3-4-14-33-18-11-9-17(10-12-18)31-19(28)15-5-7-16(8-6-15)26-21(24)25/h5-12H,3-4,13-14H2,1-2H3,(H4,24,25,26)