S-[2-[4-methyl-3-(methylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-methyl-3-(methylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-3-(methylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-3-(methylcarbamoylamino)-1-(1-oxo-3-phenylpropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-(methylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1-hydrocinnamoyl-4-methyl-3-(methylcarbamoylamino)piperazin-2-yl]ethyl] ester Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1C(N(CCN1C(=O)CCC2=CC=CC=C2)C)NC(=O)NC

Isomeric SMILES

CC(=O)SCCC1C(N(CCN1C(=O)CCC2=CC=CC=C2)C)NC(=O)NC

InChI

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