1-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-isopentyl-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-isoamyl-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C13H17F3N2S MolecularWeight: 290.34769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CC(C)CCNC(=S)NC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C13H17F3N2S/c1-9(2)7-8-17-12(19)18-11-6-4-3-5-10(11)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19)