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

Systemtic Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] N-propan-2-ylcarbamothioate Openeye Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] N-isopropylcarbamothioate CAS Name: N-propan-2-ylcarbamothioic 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] N-propan-2-ylcarbamothioate Traditional Name: N-isopropylthiocarbamic acid S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C23H37N5O3S MolecularWeight: 463.63658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N5O3S/c1-5-20(29)28-15-14-27(4)21(19(28)12-16-32-23(31)25-17(2)3)26-22(30)24-13-11-18-9-7-6-8-10-18/h6-10,17,19,21H,5,11-16H2,1-4H3,(H,25,31)(H2,24,26,30)