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

Systemtic Name: [4-[3-[5,5-dimethyl-2,4-bis(oxidanylidene)-1,3-oxazolidin-3-yl]propylsulfanyl]phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-[3-(5,5-dimethyl-2,4-dioxo-oxazolidin-3-yl)propylsulfanyl]phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[3-(5,5-dimethyl-2,4-dioxo-3-oxazolidinyl)propylthio]phenyl] ester IUPAC Name: [4-[3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)propylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-[3-(2,4-diketo-5,5-dimethyl-oxazolidin-3-yl)propylthio]phenyl] ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)O1)CCCSC2=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)CCCSC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N)C

InChI

InChI=1S/C22H24N4O5S/c1-22(2)19(28)26(21(29)31-22)12-3-13-32-17-10-8-16(9-11-17)30-18(27)14-4-6-15(7-5-14)25-20(23)24/h4-11H,3,12-13H2,1-2H3,(H4,23,24,25)