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

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-(4-methylpiperazin-1-yl)-1-(methylsulfanylmethyl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(4-methyl-1-piperazinyl)-3-(methylthio)-1-oxopropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(4-methylpiperazin-1-yl)-3-methylsulfanyl-1-oxopropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-keto-2-(4-methylpiperazino)-1-[(methylthio)methyl]ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C22H34N4O3S2 MolecularWeight: 466.66036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CSC)C(=O)N2CCN(CC2)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CSC)C(=O)N2CCN(CC2)C

InChI

InChI=1S/C22H34N4O3S2/c1-18(27)31-16-15-26(10-9-19-7-5-4-6-8-19)22(29)23-20(17-30-3)21(28)25-13-11-24(2)12-14-25/h4-8,20H,9-17H2,1-3H3,(H,23,29)