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

Systemtic Name: S-[2-[[(2S)-1-(4-methylpiperazin-1-yl)-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[(1S)-1-benzyl-2-(4-methylpiperazin-1-yl)ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[(2S)-1-(4-methyl-1-piperazinyl)-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[(2S)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[(1S)-1-benzyl-2-(4-methylpiperazino)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C27H38N4O2S MolecularWeight: 482.68122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)CN3CCN(CC3)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)CN3CCN(CC3)C

InChI

InChI=1S/C27H38N4O2S/c1-23(32)34-20-19-31(14-13-24-9-5-3-6-10-24)27(33)28-26(21-25-11-7-4-8-12-25)22-30-17-15-29(2)16-18-30/h3-12,26H,13-22H2,1-2H3,(H,28,33)/t26-/m0/s1