S-[2-[4-methyl-1-(4-methylpentanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-methyl-1-(4-methylpentanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-1-(4-methylpentanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-1-(4-methyl-1-oxopentyl)-3-[[oxo-(phenethylamino)methyl]amino]-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-1-(4-methylpentanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-methyl-1-(4-methylpentanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ester Formula: C24H38N4O3S MolecularWeight: 462.64852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CC(C)CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C24H38N4O3S/c1-18(2)10-11-22(30)28-16-15-27(4)23(21(28)13-17-32-19(3)29)26-24(31)25-14-12-20-8-6-5-7-9-20/h5-9,18,21,23H,10-17H2,1-4H3,(H2,25,26,31)