(phenylmethyl) 2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethylsulfanylmethanoate

Systemtic Name: (phenylmethyl) 2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethylsulfanylmethanoate Openeye Name: benzyl 2-[[1-benzyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethylsulfanylformate CAS Name: [2-[[[[1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]ethylthio]formic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl-phenethylamino]ethylsulfanylformate Traditional Name: [2-[[1-benzyl-2-keto-2-(4-methylpiperazino)ethyl]carbamoyl-phenethyl-amino]ethylthio]formic acid benzyl ester Formula: C33H40N4O4S MolecularWeight: 588.7601

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)N(CCC3=CC=CC=C3)CCSC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)N(CCC3=CC=CC=C3)CCSC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H40N4O4S/c1-35-19-21-36(22-20-35)31(38)30(25-28-13-7-3-8-14-28)34-32(39)37(18-17-27-11-5-2-6-12-27)23-24-42-33(40)41-26-29-15-9-4-10-16-29/h2-16,30H,17-26H2,1H3,(H,34,39)