S-[2-[[1-(4-methylpiperazin-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-(4-methylpiperazine-1-carbonyl)-3-methylsulfanyl-propyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(4-methyl-1-piperazinyl)-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(4-methylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-(4-methylpiperazine-1-carbonyl)-3-(methylthio)propyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C23H36N4O3S2 MolecularWeight: 480.68694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)N2CCN(CC2)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)N2CCN(CC2)C

InChI

InChI=1S/C23H36N4O3S2/c1-19(28)32-18-16-27(11-9-20-7-5-4-6-8-20)23(30)24-21(10-17-31-3)22(29)26-14-12-25(2)13-15-26/h4-8,21H,9-18H2,1-3H3,(H,24,30)