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

Systemtic Name: S-[2-[[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenyl-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[2-(4-methyl-1-piperazinyl)-2-oxo-1-phenylethyl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-keto-2-(4-methylpiperazino)-1-phenyl-ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C26H34N4O3S/c1-21(31)34-20-19-30(14-13-22-9-5-3-6-10-22)26(33)27-24(23-11-7-4-8-12-23)25(32)29-17-15-28(2)16-18-29/h3-12,24H,13-20H2,1-2H3,(H,27,33)