S-[2-[[3-ethanoylsulfanyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[3-ethanoylsulfanyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-(acetylsulfanylmethyl)-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[3-(acetylthio)-1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[3-acetylsulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-[(acetylthio)methyl]-2-keto-2-(4-methylpiperazino)ethyl]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)NC(CSC(=O)C)C(=O)N2CCN(CC2)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CSC(=O)C)C(=O)N2CCN(CC2)C

InChI

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