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

Systemtic Name: ethyl 4-[[4-(piperazin-1-ylcarbonylsulfanylmethyl)phenoxy]carbonylamino]benzoate hydrochloride Openeye Name: ethyl 4-[[4-(piperazine-1-carbonylsulfanylmethyl)phenoxy]carbonylamino]benzoate hydrochloride CAS Name: 4-[[oxo-[4-[[[oxo(1-piperazinyl)methyl]thio]methyl]phenoxy]methyl]amino]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[[4-(piperazine-1-carbonylsulfanylmethyl)phenoxy]carbonylamino]benzoate hydrochloride Traditional Name: 4-[[4-[(piperazine-1-carbonylthio)methyl]phenoxy]carbonylamino]benzoic acid ethyl ester hydrochloride Formula: C22H26ClN3O5S MolecularWeight: 479.97694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S.ClH/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);1H