ethyl 4-[2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[[2-(phenylthio)acetyl]amino]pyrazol-1-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O4S/c1-2-29-20(28)24-10-8-23(9-11-24)19(27)14-25-13-16(12-21-25)22-18(26)15-30-17-6-4-3-5-7-17/h3-7,12-13H,2,8-11,14-15H2,1H3,(H,22,26)