S-[2-[[(2S)-5-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-hexan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[(2S)-5-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-hexan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[(1S)-4-methyl-1-(4-methylpiperazine-1-carbonyl)pentyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[(2S)-5-methyl-1-(4-methyl-1-piperazinyl)-1-oxohexan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[(2S)-5-methyl-1-(4-methylpiperazin-1-yl)-1-oxohexan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[(1S)-4-methyl-1-(4-methylpiperazine-1-carbonyl)pentyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C25H40N4O3S MolecularWeight: 476.6751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC[C@@H](C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC=CC=C2)CCSC(=O)C

InChI

InChI=1S/C25H40N4O3S/c1-20(2)10-11-23(24(31)28-16-14-27(4)15-17-28)26-25(32)29(18-19-33-21(3)30)13-12-22-8-6-5-7-9-22/h5-9,20,23H,10-19H2,1-4H3,(H,26,32)/t23-/m0/s1