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

Systemtic Name: tert-butyl 2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethylsulfanylmethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C30H42N4O4S MolecularWeight: 554.74388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)OC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C

InChI

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