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

Systemtic Name: S-[2-[2-cyclopentylethyl-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclopentylethyl-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclopentylethyl-[[[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclopentylethyl-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclopentylethyl-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]carbamoyl]amino]ethyl] ester Formula: C20H36N4O3S MolecularWeight: 412.58984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2CCCC2)CCSC(=O)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2CCCC2)CCSC(=O)C

InChI

InChI=1S/C20H36N4O3S/c1-16(19(26)23-12-10-22(3)11-13-23)21-20(27)24(14-15-28-17(2)25)9-8-18-6-4-5-7-18/h16,18H,4-15H2,1-3H3,(H,21,27)