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

Systemtic Name: 3-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-1-phenethyl-1-(2-sulfanylethyl)urea Openeye Name: 3-[1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-1-phenethyl-1-(2-sulfanylethyl)urea CAS Name: 1-(2-mercaptoethyl)-3-[1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]-1-phenethylurea IUPAC Name: 3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-phenethyl-1-(2-sulfanylethyl)urea Traditional Name: 3-[2-keto-1-methyl-2-(4-methylpiperazino)ethyl]-1-(2-mercaptoethyl)-1-phenethyl-urea Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2S/c1-16(18(24)22-12-10-21(2)11-13-22)20-19(25)23(14-15-26)9-8-17-6-4-3-5-7-17/h3-7,16,26H,8-15H2,1-2H3,(H,20,25)