1-[2-(phenylmethylsulfanyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea

Systemtic Name: 1-[2-(phenylmethylsulfanyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea Openeye Name: 1-(2-benzylsulfanylethyl)-3-(1,1,3,3-tetramethylbutyl)urea CAS Name: 1-[2-(phenylmethylthio)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea IUPAC Name: 1-(2-benzylsulfanylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea Traditional Name: 1-[2-(benzylthio)ethyl]-3-(1,1,3,3-tetramethylbutyl)urea Formula: C18H30N2OS MolecularWeight: 322.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)NCCSCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)NCCSCC1=CC=CC=C1

InChI

InChI=1S/C18H30N2OS/c1-17(2,3)14-18(4,5)20-16(21)19-11-12-22-13-15-9-7-6-8-10-15/h6-10H,11-14H2,1-5H3,(H2,19,20,21)