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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2CCCCCC2)CCSC(=O)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2CCCCCC2)CCSC(=O)C

InChI

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