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

Systemtic Name: S-[2-[3-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methyl-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methyl-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[[[2-(4-methoxyphenyl)ethylamino]-oxomethyl]amino]-4-methyl-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[3-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methyl-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methyl-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C22H34N4O4S MolecularWeight: 450.59476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O4S/c1-5-20(28)26-14-13-25(3)21(19(26)11-15-31-16(2)27)24-22(29)23-12-10-17-6-8-18(30-4)9-7-17/h6-9,19,21H,5,10-15H2,1-4H3,(H2,23,24,29)