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

Systemtic Name: S-[2-[[3-ethanoylsulfanyl-3-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-acetylsulfanyl-2-methyl-1-(4-methylpiperazine-1-carbonyl)propyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[3-(acetylthio)-3-methyl-1-(4-methyl-1-piperazinyl)-1-oxobutan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[3-acetylsulfanyl-3-methyl-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-(acetylthio)-2-methyl-1-(4-methylpiperazine-1-carbonyl)propyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C25H38N4O4S2 MolecularWeight: 522.72362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N4O4S2/c1-19(30)34-18-17-29(12-11-21-9-7-6-8-10-21)24(33)26-22(25(3,4)35-20(2)31)23(32)28-15-13-27(5)14-16-28/h6-10,22H,11-18H2,1-5H3,(H,26,33)