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

Systemtic Name: S-[2-[[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[3-methyl-1-(4-methylpiperazine-1-carbonyl)butyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[4-methyl-1-(4-methyl-1-piperazinyl)-1-oxopentan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[3-methyl-1-(4-methylpiperazine-1-carbonyl)butyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C24H38N4O3S MolecularWeight: 462.64852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC=CC=C2)CCSC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C)NC(=O)N(CCC2=CC=CC=C2)CCSC(=O)C

InChI

InChI=1S/C24H38N4O3S/c1-19(2)18-22(23(30)27-14-12-26(4)13-15-27)25-24(31)28(16-17-32-20(3)29)11-10-21-8-6-5-7-9-21/h5-9,19,22H,10-18H2,1-4H3,(H,25,31)