methyl 3-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethylsulfanyl]propanoate

Systemtic Name: methyl 3-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethylsulfanyl]propanoate Openeye Name: methyl 3-[2-[[1-benzyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethylsulfanyl]propanoate CAS Name: 3-[2-[[[[1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]ethylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl-phenethylamino]ethylsulfanyl]propanoate Traditional Name: 3-[2-[[1-benzyl-2-keto-2-(4-methylpiperazino)ethyl]carbamoyl-phenethyl-amino]ethylthio]propionic acid methyl ester Formula: C29H40N4O4S MolecularWeight: 540.7173

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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)CCSCCC(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)N(CCC3=CC=CC=C3)CCSCCC(=O)OC

InChI

InChI=1S/C29H40N4O4S/c1-31-16-18-32(19-17-31)28(35)26(23-25-11-7-4-8-12-25)30-29(36)33(15-13-24-9-5-3-6-10-24)20-22-38-21-14-27(34)37-2/h3-12,26H,13-23H2,1-2H3,(H,30,36)