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

Systemtic Name: S-[2-[2-cyclohexylethyl-[[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]carbamoyl]amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]carbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[[2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]amino]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]carbamoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[[2-hydroxy-3-(4-methylpiperazino)propyl]carbamoyl]amino]ethyl] ester Formula: C21H40N4O3S MolecularWeight: 428.6323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCC(CN2CCN(CC2)C)O

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCC(CN2CCN(CC2)C)O

InChI

InChI=1S/C21H40N4O3S/c1-18(26)29-15-14-25(9-8-19-6-4-3-5-7-19)21(28)22-16-20(27)17-24-12-10-23(2)11-13-24/h19-20,27H,3-17H2,1-2H3,(H,22,28)