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

Systemtic Name: S-[2-[1-butanoyl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[1-butanoyl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-1-(1-oxobutyl)-3-[[oxo-(phenethylamino)methyl]amino]-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[1-butanoyl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1-butyryl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ester Formula: C22H34N4O3S MolecularWeight: 434.59536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O3S/c1-4-8-20(28)26-15-14-25(3)21(19(26)12-16-30-17(2)27)24-22(29)23-13-11-18-9-6-5-7-10-18/h5-7,9-10,19,21H,4,8,11-16H2,1-3H3,(H2,23,24,29)