S-[3-methyl-1-[(4-methyl-1-propanoyl-piperazin-2-yl)-(phenethylcarbamoyl)amino]butan-2-yl] ethanethioate

Systemtic Name: S-[3-methyl-1-[(4-methyl-1-propanoyl-piperazin-2-yl)-(phenethylcarbamoyl)amino]butan-2-yl] ethanethioate Openeye Name: S-[2-methyl-1-[[(4-methyl-1-propanoyl-piperazin-2-yl)-(phenethylcarbamoyl)amino]methyl]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-methyl-1-[[4-methyl-1-(1-oxopropyl)-2-piperazinyl]-[oxo-(phenethylamino)methyl]amino]butan-2-yl] ester IUPAC Name: S-[3-methyl-1-[(4-methyl-1-propanoylpiperazin-2-yl)-(phenethylcarbamoyl)amino]butan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-methyl-1-[[(4-methyl-1-propionyl-piperazin-2-yl)-(phenethylcarbamoyl)amino]methyl]propyl] ester Formula: C24H38N4O3S MolecularWeight: 462.64852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1N(CC(C(C)C)SC(=O)C)C(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)N1CCN(CC1N(CC(C(C)C)SC(=O)C)C(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C24H38N4O3S/c1-6-23(30)27-15-14-26(5)17-22(27)28(16-21(18(2)3)32-19(4)29)24(31)25-13-12-20-10-8-7-9-11-20/h7-11,18,21-22H,6,12-17H2,1-5H3,(H,25,31)