3-[3-(4-methyl-3-sulfanyl-piperazin-2-yl)-3-oxidanylidene-propyl]-1-phenethyl-1-(2-sulfanylethyl)urea

Systemtic Name: 3-[3-(4-methyl-3-sulfanyl-piperazin-2-yl)-3-oxidanylidene-propyl]-1-phenethyl-1-(2-sulfanylethyl)urea Openeye Name: 3-[3-(4-methyl-3-sulfanyl-piperazin-2-yl)-3-oxo-propyl]-1-phenethyl-1-(2-sulfanylethyl)urea CAS Name: 1-(2-mercaptoethyl)-3-[3-(3-mercapto-4-methyl-2-piperazinyl)-3-oxopropyl]-1-phenethylurea IUPAC Name: 3-[3-(4-methyl-3-sulfanylpiperazin-2-yl)-3-oxopropyl]-1-phenethyl-1-(2-sulfanylethyl)urea Traditional Name: 3-[3-keto-3-(3-mercapto-4-methyl-piperazin-2-yl)propyl]-1-(2-mercaptoethyl)-1-phenethyl-urea Formula: C19H30N4O2S2 MolecularWeight: 410.5971

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNC(C1S)C(=O)CCNC(=O)N(CCC2=CC=CC=C2)CCS

Isomeric SMILES

CN1CCNC(C1S)C(=O)CCNC(=O)N(CCC2=CC=CC=C2)CCS

InChI

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