1-[2,4-bis(fluoranyl)phenyl]-3-[(3-ethanoylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-[(3-ethanoylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(3-acetylphenyl)-3-[(2,4-difluorophenyl)carbamothioylamino]thiourea CAS Name: 1-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-3-(2,4-difluorophenyl)thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[(2,4-difluorophenyl)carbamothioylamino]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[(2,4-difluorophenyl)thiocarbamoylamino]thiourea Formula: C16H14F2N4OS2 MolecularWeight: 380.435366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NNC(=S)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NNC(=S)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C16H14F2N4OS2/c1-9(23)10-3-2-4-12(7-10)19-15(24)21-22-16(25)20-14-6-5-11(17)8-13(14)18/h2-8H,1H3,(H2,19,21,24)(H2,20,22,25)