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

Systemtic Name: S-[2-[[3-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-methyl-1-(4-methylpiperazine-1-carbonyl)propyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[3-methyl-1-(4-methyl-1-piperazinyl)-1-oxobutan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[3-methyl-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-methyl-1-(4-methylpiperazine-1-carbonyl)propyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C23H36N4O3S MolecularWeight: 448.62194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O3S/c1-18(2)21(22(29)26-14-12-25(4)13-15-26)24-23(30)27(16-17-31-19(3)28)11-10-20-8-6-5-7-9-20/h5-9,18,21H,10-17H2,1-4H3,(H,24,30)