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

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[1-(4-methylpiperazine-1-carbonyl)propylcarbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(4-methyl-1-piperazinyl)-1-oxobutan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1-(4-methylpiperazine-1-carbonyl)propylcarbamoyl-phenethyl-amino]ethyl] ester Formula: C22H34N4O3S MolecularWeight: 434.59536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O3S/c1-4-20(21(28)25-14-12-24(3)13-15-25)23-22(29)26(16-17-30-18(2)27)11-10-19-8-6-5-7-9-19/h5-9,20H,4,10-17H2,1-3H3,(H,23,29)