4-[(1-ethanoylsulfanyl-3-phenyl-propan-2-yl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: 4-[(1-ethanoylsulfanyl-3-phenyl-propan-2-yl)carbamoyl]piperazine-1-carboxylate Openeye Name: 4-[[1-(acetylsulfanylmethyl)-2-phenyl-ethyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[1-(acetylthio)-3-phenylpropan-2-yl]amino]-oxomethyl]-1-piperazinecarboxylate IUPAC Name: 4-[(1-acetylsulfanyl-3-phenylpropan-2-yl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[1-[(acetylthio)methyl]-2-phenyl-ethyl]carbamoyl]piperazine-1-carboxylate Formula: C17H22N3O4S- MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(=O)[O-]

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(=O)[O-]

InChI

InChI=1S/C17H23N3O4S/c1-13(21)25-12-15(11-14-5-3-2-4-6-14)18-16(22)19-7-9-20(10-8-19)17(23)24/h2-6,15H,7-12H2,1H3,(H,18,22)(H,23,24)/p-1