S-[3-phenyl-2-(piperazin-1-ylcarbonylamino)propyl] ethanethioate ethanoate

Systemtic Name: S-[3-phenyl-2-(piperazin-1-ylcarbonylamino)propyl] ethanethioate ethanoate Openeye Name: S-[3-phenyl-2-(piperazine-1-carbonylamino)propyl] ethanethioate acetate CAS Name: ethanethioic acid S-[2-[[oxo(1-piperazinyl)methyl]amino]-3-phenylpropyl] ester acetate IUPAC Name: S-[3-phenyl-2-(piperazine-1-carbonylamino)propyl] ethanethioate acetate Traditional Name: ethanethioic acid S-[3-phenyl-2-(piperazine-1-carbonylamino)propyl] ester acetate Formula: C18H26N3O4S- MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N2CCNCC2

Isomeric SMILES

CC(=O)[O-].CC(=O)SCC(CC1=CC=CC=C1)NC(=O)N2CCNCC2

InChI

InChI=1S/C16H23N3O2S.C2H4O2/c1-13(20)22-12-15(11-14-5-3-2-4-6-14)18-16(21)19-9-7-17-8-10-19;1-2(3)4/h2-6,15,17H,7-12H2,1H3,(H,18,21);1H3,(H,3,4)/p-1