S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] benzenecarbothioate Openeye Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[4-methyl-3-[[oxo-(phenethylamino)methyl]amino]-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propanoylpiperazin-2-yl]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCSC(=O)C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCSC(=O)C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C26H34N4O3S/c1-3-23(31)30-18-17-29(2)24(28-26(33)27-16-14-20-10-6-4-7-11-20)22(30)15-19-34-25(32)21-12-8-5-9-13-21/h4-13,22,24H,3,14-19H2,1-2H3,(H2,27,28,33)