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

Systemtic Name: S-[2-[4-methyl-3-(2-phenoxyethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-3-(2-phenoxyethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-3-[[oxo-(2-phenoxyethylamino)methyl]amino]-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-(2-phenoxyethylcarbamoylamino)-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-methyl-3-(2-phenoxyethylcarbamoylamino)-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCOC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCOC2=CC=CC=C2)C

InChI

InChI=1S/C21H32N4O4S/c1-4-19(27)25-13-12-24(3)20(18(25)10-15-30-16(2)26)23-21(28)22-11-14-29-17-8-6-5-7-9-17/h5-9,18,20H,4,10-15H2,1-3H3,(H2,22,23,28)