tert-butyl 2-[4-methyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethylsulfanylmethanoate

Systemtic Name: tert-butyl 2-[4-methyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethylsulfanylmethanoate Openeye Name: tert-butyl 2-[4-methyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethylsulfanylformate CAS Name: [2-[4-methyl-3-[[oxo-(phenethylamino)methyl]amino]-1-(1-oxo-3-phenylpropyl)-2-piperazinyl]ethylthio]formic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-methyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethylsulfanylformate Traditional Name: [2-[1-hydrocinnamoyl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethylthio]formic acid tert-butyl ester Formula: C30H42N4O4S MolecularWeight: 554.74388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SCCC1C(N(CCN1C(=O)CCC2=CC=CC=C2)C)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)SCCC1C(N(CCN1C(=O)CCC2=CC=CC=C2)C)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C30H42N4O4S/c1-30(2,3)38-29(37)39-22-18-25-27(32-28(36)31-19-17-24-13-9-6-10-14-24)33(4)20-21-34(25)26(35)16-15-23-11-7-5-8-12-23/h5-14,25,27H,15-22H2,1-4H3,(H2,31,32,36)