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

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[N-[[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]anilino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(N-[[[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]amino]-oxomethyl]anilino)ethyl] ester IUPAC Name: S-[2-[N-[[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl]anilino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[N-[[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]carbamoyl]anilino]ethyl] ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3S/c1-15(18(25)22-11-9-21(3)10-12-22)20-19(26)23(13-14-27-16(2)24)17-7-5-4-6-8-17/h4-8,15H,9-14H2,1-3H3,(H,20,26)