3-(3-fluoranyl-4-methyl-phenyl)-1-methyl-1-(2-pyridin-2-ylethyl)thiourea

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-1-methyl-1-(2-pyridin-2-ylethyl)thiourea Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-1-methyl-1-[2-(2-pyridyl)ethyl]thiourea CAS Name: 3-(3-fluoro-4-methylphenyl)-1-methyl-1-[2-(2-pyridinyl)ethyl]thiourea IUPAC Name: 3-(3-fluoro-4-methylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)thiourea Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-1-methyl-1-[2-(2-pyridyl)ethyl]thiourea Formula: C16H18FN3S MolecularWeight: 303.397623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(C)CCC2=CC=CC=N2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(C)CCC2=CC=CC=N2)F

InChI

InChI=1S/C16H18FN3S/c1-12-6-7-14(11-15(12)17)19-16(21)20(2)10-8-13-5-3-4-9-18-13/h3-7,9,11H,8,10H2,1-2H3,(H,19,21)