N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Formula: C19H21ClFN3O2S MolecularWeight: 409.905343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F)OC)Cl

InChI

InChI=1S/C19H21ClFN3O2S/c1-25-17-12-16(18(26-2)11-15(17)20)22-19(27)24-9-7-23(8-10-24)14-5-3-13(21)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,22,27)