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

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[1-(4-methylpiperazine-1-carbonyl)butylcarbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(4-methyl-1-piperazinyl)-1-oxopentan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1-(4-methylpiperazine-1-carbonyl)butylcarbamoyl-phenethyl-amino]ethyl] ester Formula: C23H36N4O3S MolecularWeight: 448.62194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O3S/c1-4-8-21(22(29)26-15-13-25(3)14-16-26)24-23(30)27(17-18-31-19(2)28)12-11-20-9-6-5-7-10-20/h5-7,9-10,21H,4,8,11-18H2,1-3H3,(H,24,30)