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

Systemtic Name: S-[2-[1,4-dimethyl-3-(phenethylcarbamoylamino)-2-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[1,4-dimethyl-3-(phenethylcarbamoylamino)-2-propanoyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[1,4-dimethyl-3-[[oxo-(phenethylamino)methyl]amino]-2-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[1,4-dimethyl-3-(phenethylcarbamoylamino)-2-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1,4-dimethyl-3-(phenethylcarbamoylamino)-2-propionyl-piperazin-2-yl]ethyl] ester Formula: C22H34N4O3S MolecularWeight: 434.59536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(N(CCN1C)C)NC(=O)NCCC2=CC=CC=C2)CCSC(=O)C

Isomeric SMILES

CCC(=O)C1(C(N(CCN1C)C)NC(=O)NCCC2=CC=CC=C2)CCSC(=O)C

InChI

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