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

Systemtic Name: S-[1-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]propan-2-yl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]-1-methyl-ethyl] ethanethioate CAS Name: ethanethioic acid S-[1-[[[[1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]propan-2-yl] ester IUPAC Name: S-[1-[[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl-phenethylamino]propan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-keto-2-(4-methylpiperazino)ethyl]carbamoyl-phenethyl-amino]-1-methyl-ethyl] ester Formula: C28H38N4O3S MolecularWeight: 510.69132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O3S/c1-22(36-23(2)33)21-32(15-14-24-10-6-4-7-11-24)28(35)29-26(20-25-12-8-5-9-13-25)27(34)31-18-16-30(3)17-19-31/h4-13,22,26H,14-21H2,1-3H3,(H,29,35)