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

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-(phenethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-(phenethylcarbamoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]-[oxo-(phenethylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-(phenethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]-(phenethylcarbamoyl)amino]ethyl] ester Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)N(CCSC(=O)C)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C)N(CCSC(=O)C)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H32N4O3S/c1-17(20(27)24-13-11-23(3)12-14-24)25(15-16-29-18(2)26)21(28)22-10-9-19-7-5-4-6-8-19/h4-8,17H,9-16H2,1-3H3,(H,22,28)