1-(2-tert-butylsulfanylethyl)-3-(4-iodophenyl)urea

Systemtic Name: 1-(2-tert-butylsulfanylethyl)-3-(4-iodophenyl)urea Openeye Name: 1-(2-tert-butylsulfanylethyl)-3-(4-iodophenyl)urea CAS Name: 1-[2-(tert-butylthio)ethyl]-3-(4-iodophenyl)urea IUPAC Name: 1-(2-tert-butylsulfanylethyl)-3-(4-iodophenyl)urea Traditional Name: 1-[2-(tert-butylthio)ethyl]-3-(4-iodophenyl)urea Formula: C13H19IN2OS MolecularWeight: 378.27223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)NC1=CC=C(C=C1)I

Isomeric SMILES

CC(C)(C)SCCNC(=O)NC1=CC=C(C=C1)I

InChI

InChI=1S/C13H19IN2OS/c1-13(2,3)18-9-8-15-12(17)16-11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3,(H2,15,16,17)