1-(2-ethyl-6-methyl-phenyl)-3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]thiourea CAS Name: 1-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]thiourea Formula: C18H21FN4S2 MolecularWeight: 376.514543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=S)NC2=CC(=C(C=C2)C)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=S)NC2=CC(=C(C=C2)C)F)C

InChI

InChI=1S/C18H21FN4S2/c1-4-13-7-5-6-12(3)16(13)21-18(25)23-22-17(24)20-14-9-8-11(2)15(19)10-14/h5-10H,4H2,1-3H3,(H2,20,22,24)(H2,21,23,25)