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

Systemtic Name: S-[2-methyl-1-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]propan-2-yl] ethanethioate Openeye Name: S-[1,1-dimethyl-2-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-methyl-1-[[[[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]-phenethylamino]propan-2-yl] ester IUPAC Name: S-[2-methyl-1-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl-phenethylamino]propan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]carbamoyl-phenethyl-amino]-1,1-dimethyl-ethyl] ester Formula: C23H36N4O3S MolecularWeight: 448.62194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC=CC=C2)CC(C)(C)SC(=O)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC=CC=C2)CC(C)(C)SC(=O)C

InChI

InChI=1S/C23H36N4O3S/c1-18(21(29)26-15-13-25(5)14-16-26)24-22(30)27(17-23(3,4)31-19(2)28)12-11-20-9-7-6-8-10-20/h6-10,18H,11-17H2,1-5H3,(H,24,30)