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

Systemtic Name: S-[2-[4-methyl-3-[2-(4-phenylphenyl)ethylcarbamoylamino]-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-3-[2-(4-phenylphenyl)ethylcarbamoylamino]-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-3-[[oxo-[2-(4-phenylphenyl)ethylamino]methyl]amino]-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-[2-(4-phenylphenyl)ethylcarbamoylamino]-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-methyl-3-[2-(4-phenylphenyl)ethylcarbamoylamino]-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC2=CC=C(C=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC2=CC=C(C=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C27H36N4O3S/c1-4-25(33)31-18-17-30(3)26(24(31)15-19-35-20(2)32)29-27(34)28-16-14-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-13,24,26H,4,14-19H2,1-3H3,(H2,28,29,34)