3-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-sulfanyl-propan-2-yl]-1-phenethyl-1-(2-sulfanylethyl)urea

Systemtic Name: 3-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-sulfanyl-propan-2-yl]-1-phenethyl-1-(2-sulfanylethyl)urea Openeye Name: 3-[2-(4-methylpiperazin-1-yl)-2-oxo-1-(sulfanylmethyl)ethyl]-1-phenethyl-1-(2-sulfanylethyl)urea CAS Name: 1-(2-mercaptoethyl)-3-[3-mercapto-1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]-1-phenethylurea IUPAC Name: 3-[1-(4-methylpiperazin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]-1-phenethyl-1-(2-sulfanylethyl)urea Traditional Name: 3-[2-keto-1-(mercaptomethyl)-2-(4-methylpiperazino)ethyl]-1-(2-mercaptoethyl)-1-phenethyl-urea Formula: C19H30N4O2S2 MolecularWeight: 410.5971

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(CS)NC(=O)N(CCC2=CC=CC=C2)CCS

Isomeric SMILES

CN1CCN(CC1)C(=O)C(CS)NC(=O)N(CCC2=CC=CC=C2)CCS

InChI

InChI=1S/C19H30N4O2S2/c1-21-9-11-22(12-10-21)18(24)17(15-27)20-19(25)23(13-14-26)8-7-16-5-3-2-4-6-16/h2-6,17,26-27H,7-15H2,1H3,(H,20,25)