1-(2-cyanoethyl)-3-(3,5-dimethylphenyl)-1-(4-fluorophenyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(3,5-dimethylphenyl)-1-(4-fluorophenyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(3,5-dimethylphenyl)-1-(4-fluorophenyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(3,5-dimethylphenyl)-1-(4-fluorophenyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(3,5-dimethylphenyl)-1-(4-fluorophenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(3,5-dimethylphenyl)-1-(4-fluorophenyl)thiourea Formula: C18H18FN3S MolecularWeight: 327.419023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N(CCC#N)C2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N(CCC#N)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H18FN3S/c1-13-10-14(2)12-16(11-13)21-18(23)22(9-3-8-20)17-6-4-15(19)5-7-17/h4-7,10-12H,3,9H2,1-2H3,(H,21,23)