S-[2-[[3-(4-nitrophenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[3-(4-nitrophenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-[(4-nitrophenyl)methyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[3-(4-nitrophenyl)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[3-(4-nitrophenyl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-keto-1-(4-nitrobenzyl)-2-(4-phenylpiperazino)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C32H37N5O5S MolecularWeight: 603.73168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C32H37N5O5S/c1-25(38)43-23-22-36(17-16-26-8-4-2-5-9-26)32(40)33-30(24-27-12-14-29(15-13-27)37(41)42)31(39)35-20-18-34(19-21-35)28-10-6-3-7-11-28/h2-15,30H,16-24H2,1H3,(H,33,40)