1-(2-methyl-2-oxidanyl-propyl)-3-phenyl-1-[3-(phenylcarbamothioylamino)propyl]thiourea

Systemtic Name: 1-(2-methyl-2-oxidanyl-propyl)-3-phenyl-1-[3-(phenylcarbamothioylamino)propyl]thiourea Openeye Name: 1-(2-hydroxy-2-methyl-propyl)-3-phenyl-1-[3-(phenylcarbamothioylamino)propyl]thiourea CAS Name: 1-[3-[[anilino(sulfanylidene)methyl]amino]propyl]-1-(2-hydroxy-2-methylpropyl)-3-phenylthiourea IUPAC Name: 1-(2-hydroxy-2-methylpropyl)-3-phenyl-1-[3-(phenylcarbamothioylamino)propyl]thiourea Traditional Name: 1-(2-hydroxy-2-methyl-propyl)-3-phenyl-1-[3-(phenylthiocarbamoylamino)propyl]thiourea Formula: C21H28N4OS2 MolecularWeight: 416.60322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN(CCCNC(=S)NC1=CC=CC=C1)C(=S)NC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(CN(CCCNC(=S)NC1=CC=CC=C1)C(=S)NC2=CC=CC=C2)O

InChI

InChI=1S/C21H28N4OS2/c1-21(2,26)16-25(20(28)24-18-12-7-4-8-13-18)15-9-14-22-19(27)23-17-10-5-3-6-11-17/h3-8,10-13,26H,9,14-16H2,1-2H3,(H,24,28)(H2,22,23,27)