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

Systemtic Name: S-[2-[4-methyl-1-(3-oxidanylpropanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[1-(3-hydroxypropanoyl)-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[1-(3-hydroxy-1-oxopropyl)-4-methyl-3-[[oxo-(phenethylamino)methyl]amino]-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[1-(3-hydroxypropanoyl)-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1-(3-hydroxypropanoyl)-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ester Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1C(N(CCN1C(=O)CCO)C)NC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCCC1C(N(CCN1C(=O)CCO)C)NC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H32N4O4S/c1-16(27)30-15-10-18-20(24(2)12-13-25(18)19(28)9-14-26)23-21(29)22-11-8-17-6-4-3-5-7-17/h3-7,18,20,26H,8-15H2,1-2H3,(H2,22,23,29)