1-(2,4-dimethylphenyl)-3-[3-[(3-fluorophenyl)methylsulfanyl]propanoylamino]thiourea

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[3-[(3-fluorophenyl)methylsulfanyl]propanoylamino]thiourea Openeye Name: 1-(2,4-dimethylphenyl)-3-[3-[(3-fluorophenyl)methylsulfanyl]propanoylamino]thiourea CAS Name: 1-(2,4-dimethylphenyl)-3-[[3-[(3-fluorophenyl)methylthio]-1-oxopropyl]amino]thiourea IUPAC Name: 1-(2,4-dimethylphenyl)-3-[3-[(3-fluorophenyl)methylsulfanyl]propanoylamino]thiourea Traditional Name: 1-(2,4-dimethylphenyl)-3-[3-[(3-fluorobenzyl)thio]propanoylamino]thiourea Formula: C19H22FN3OS2 MolecularWeight: 391.525883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NNC(=O)CCSCC2=CC(=CC=C2)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NNC(=O)CCSCC2=CC(=CC=C2)F)C

InChI

InChI=1S/C19H22FN3OS2/c1-13-6-7-17(14(2)10-13)21-19(25)23-22-18(24)8-9-26-12-15-4-3-5-16(20)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,24)(H2,21,23,25)