ethyl 4-[[4-(piperazin-1-ylcarbonylsulfanylmethyl)phenoxy]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-(piperazin-1-ylcarbonylsulfanylmethyl)phenoxy]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(piperazine-1-carbonylsulfanylmethyl)phenoxy]carbonylamino]benzoate CAS Name: 4-[[oxo-[4-[[[oxo(1-piperazinyl)methyl]thio]methyl]phenoxy]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(piperazine-1-carbonylsulfanylmethyl)phenoxy]carbonylamino]benzoate Traditional Name: 4-[[4-[(piperazine-1-carbonylthio)methyl]phenoxy]carbonylamino]benzoic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)CSC(=O)N3CCNCC3

InChI

InChI=1S/C22H25N3O5S/c1-2-29-20(26)17-5-7-18(8-6-17)24-21(27)30-19-9-3-16(4-10-19)15-31-22(28)25-13-11-23-12-14-25/h3-10,23H,2,11-15H2,1H3,(H,24,27)