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

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[3-[(4-fluorophenyl)thio]propanoylamino]thiourea Formula: C19H22FN3OS2 MolecularWeight: 391.525883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCSC2=CC=C(C=C2)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCSC2=CC=C(C=C2)F)C

InChI

InChI=1S/C19H22FN3OS2/c1-3-14-6-4-5-13(2)18(14)21-19(25)23-22-17(24)11-12-26-16-9-7-15(20)8-10-16/h4-10H,3,11-12H2,1-2H3,(H,22,24)(H2,21,23,25)