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

Systemtic Name: S-[2-[4-methyl-3-[2-(4-methylphenyl)ethylcarbamoylamino]-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-1-propanoyl-3-[2-(p-tolyl)ethylcarbamoylamino]piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-3-[[[2-(4-methylphenyl)ethylamino]-oxomethyl]amino]-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-[2-(4-methylphenyl)ethylcarbamoylamino]-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-methyl-1-propionyl-3-[2-(p-tolyl)ethylcarbamoylamino]piperazin-2-yl]ethyl] ester Formula: C22H34N4O3S MolecularWeight: 434.59536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O3S/c1-5-20(28)26-14-13-25(4)21(19(26)11-15-30-17(3)27)24-22(29)23-12-10-18-8-6-16(2)7-9-18/h6-9,19,21H,5,10-15H2,1-4H3,(H2,23,24,29)