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

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl-(2-pyridin-4-ylethyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-[2-(4-pyridyl)ethyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]-(2-pyridin-4-ylethyl)amino]ethyl] ester IUPAC Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl-(2-pyridin-4-ylethyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]carbamoyl-[2-(4-pyridyl)ethyl]amino]ethyl] ester Formula: C20H31N5O3S MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC=NC=C2)CCSC(=O)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC=NC=C2)CCSC(=O)C

InChI

InChI=1S/C20H31N5O3S/c1-16(19(27)24-12-10-23(3)11-13-24)22-20(28)25(14-15-29-17(2)26)9-6-18-4-7-21-8-5-18/h4-5,7-8,16H,6,9-15H2,1-3H3,(H,22,28)