1-tert-butyl-3-[1-(4-methylpiperazin-1-yl)-3-oxidanyl-propan-2-yl]thiourea

Systemtic Name: 1-tert-butyl-3-[1-(4-methylpiperazin-1-yl)-3-oxidanyl-propan-2-yl]thiourea Openeye Name: 1-tert-butyl-3-[1-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)ethyl]thiourea CAS Name: 1-tert-butyl-3-[1-hydroxy-3-(4-methyl-1-piperazinyl)propan-2-yl]thiourea IUPAC Name: 1-tert-butyl-3-[1-hydroxy-3-(4-methylpiperazin-1-yl)propan-2-yl]thiourea Traditional Name: 1-tert-butyl-3-[1-methylol-2-(4-methylpiperazino)ethyl]thiourea Formula: C13H28N4OS MolecularWeight: 288.45262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC(CN1CCN(CC1)C)CO

Isomeric SMILES

CC(C)(C)NC(=S)NC(CN1CCN(CC1)C)CO

InChI

InChI=1S/C13H28N4OS/c1-13(2,3)15-12(19)14-11(10-18)9-17-7-5-16(4)6-8-17/h11,18H,5-10H2,1-4H3,(H2,14,15,19)