S-[2-[4-methyl-3-(phenylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-methyl-3-(phenylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-3-(phenylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[[anilino(oxo)methyl]amino]-4-methyl-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-(phenylcarbamoylamino)-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-methyl-3-(phenylcarbamoylamino)-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C19H28N4O3S/c1-4-17(25)23-12-11-22(3)18(16(23)10-13-27-14(2)24)21-19(26)20-15-8-6-5-7-9-15/h5-9,16,18H,4,10-13H2,1-3H3,(H2,20,21,26)