S-[2-methyl-3-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]propyl] ethanethioate

Systemtic Name: S-[2-methyl-3-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]propyl] ethanethioate Openeye Name: S-[3-[[1-benzyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]-2-methyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-methyl-3-[[[[1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]propyl] ester IUPAC Name: S-[2-methyl-3-[[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl-phenethylamino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[[1-benzyl-2-keto-2-(4-methylpiperazino)ethyl]carbamoyl-phenethyl-amino]-2-methyl-propyl] ester Formula: C29H40N4O3S MolecularWeight: 524.7179

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C)CSC(=O)C

Isomeric SMILES

CC(CN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C)CSC(=O)C

InChI

InChI=1S/C29H40N4O3S/c1-23(22-37-24(2)34)21-33(15-14-25-10-6-4-7-11-25)29(36)30-27(20-26-12-8-5-9-13-26)28(35)32-18-16-31(3)17-19-32/h4-13,23,27H,14-22H2,1-3H3,(H,30,36)