1-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-(dimethylamino)propanoylamino]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-(dimethylamino)propanoylamino]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[3-(dimethylamino)propanoylamino]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[3-(dimethylamino)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[3-(dimethylamino)propanoylamino]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[3-(dimethylamino)propanoylamino]thiourea Formula: C12H16ClFN4OS MolecularWeight: 318.798043

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)NNC(=S)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CN(C)CCC(=O)NNC(=S)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C12H16ClFN4OS/c1-18(2)6-5-11(19)16-17-12(20)15-8-3-4-10(14)9(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,16,19)(H2,15,17,20)