1-(2-ethyl-6-methyl-phenyl)-3-[(4-fluorophenyl)methylcarbamothioylamino]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=S)NCC2=CC=C(C=C2)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=S)NCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H21FN4S2/c1-3-14-6-4-5-12(2)16(14)21-18(25)23-22-17(24)20-11-13-7-9-15(19)10-8-13/h4-10H,3,11H2,1-2H3,(H2,20,22,24)(H2,21,23,25)