S-[3-[2-cyclohexylethyl-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]amino]propyl] ethanethioate

Systemtic Name: S-[3-[2-cyclohexylethyl-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]amino]propyl] ethanethioate Openeye Name: S-[3-[2-cyclohexylethyl-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[2-cyclohexylethyl-[[[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]propyl] ester IUPAC Name: S-[3-[2-cyclohexylethyl-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl]amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[2-cyclohexylethyl-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]carbamoyl]amino]propyl] ester Formula: C22H40N4O3S MolecularWeight: 440.643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCCSC(=O)C)CCC2CCCCC2

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCCSC(=O)C)CCC2CCCCC2

InChI

InChI=1S/C22H40N4O3S/c1-18(21(28)25-15-13-24(3)14-16-25)23-22(29)26(11-7-17-30-19(2)27)12-10-20-8-5-4-6-9-20/h18,20H,4-17H2,1-3H3,(H,23,29)