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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[1-(dimethylamino)-4-methyl-cyclohexyl]methyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[1-(dimethylamino)-4-methyl-cyclohexyl]methyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[1-(dimethylamino)-4-methylcyclohexyl]methyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[[1-(dimethylamino)-4-methylcyclohexyl]methyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[1-(dimethylamino)-4-methyl-cyclohexyl]methyl]thiourea Formula: C17H25ClFN3S MolecularWeight: 357.916903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(CNC(=S)NC2=CC(=C(C=C2)F)Cl)N(C)C

Isomeric SMILES

CC1CCC(CC1)(CNC(=S)NC2=CC(=C(C=C2)F)Cl)N(C)C

InChI

InChI=1S/C17H25ClFN3S/c1-12-6-8-17(9-7-12,22(2)3)11-20-16(23)21-13-4-5-15(19)14(18)10-13/h4-5,10,12H,6-9,11H2,1-3H3,(H2,20,21,23)