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

Systemtic Name: S-[2-[1-ethanoyl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[1-acetyl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[1-acetyl-4-methyl-3-[[oxo-(phenethylamino)methyl]amino]-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[1-acetyl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1-acetyl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ester Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-15(25)24-13-12-23(3)19(18(24)10-14-28-16(2)26)22-20(27)21-11-9-17-7-5-4-6-8-17/h4-8,18-19H,9-14H2,1-3H3,(H2,21,22,27)