S-[2-[[3-(3-ethanoylsulfanyl-4-methyl-piperazin-2-yl)-3-oxidanylidene-propyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[3-(3-ethanoylsulfanyl-4-methyl-piperazin-2-yl)-3-oxidanylidene-propyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[3-(3-acetylsulfanyl-4-methyl-piperazin-2-yl)-3-oxo-propyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[3-[3-(acetylthio)-4-methyl-2-piperazinyl]-3-oxopropyl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[3-(3-acetylsulfanyl-4-methylpiperazin-2-yl)-3-oxopropyl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[3-[3-(acetylthio)-4-methyl-piperazin-2-yl]-3-keto-propyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C23H34N4O4S2 MolecularWeight: 494.67046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCCC(=O)C2C(N(CCN2)C)SC(=O)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCCC(=O)C2C(N(CCN2)C)SC(=O)C

InChI

InChI=1S/C23H34N4O4S2/c1-17(28)32-16-15-27(13-10-19-7-5-4-6-8-19)23(31)25-11-9-20(30)21-22(33-18(2)29)26(3)14-12-24-21/h4-8,21-22,24H,9-16H2,1-3H3,(H,25,31)