ethyl 4-[2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-phenyl-2-(phenylthio)acetyl]amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O4S/c1-2-35-28(34)31-19-17-30(18-20-31)27(33)23-15-9-10-16-24(23)29-26(32)25(21-11-5-3-6-12-21)36-22-13-7-4-8-14-22/h3-16,25H,2,17-20H2,1H3,(H,29,32)