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

Systemtic Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-3-[[oxo-(phenethylamino)methyl]amino]-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3S/c1-4-19(27)25-14-13-24(3)20(18(25)11-15-29-16(2)26)23-21(28)22-12-10-17-8-6-5-7-9-17/h5-9,18,20H,4,10-15H2,1-3H3,(H2,22,23,28)