4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-(2-fluorophenyl)piperazine-1-carbothioamide Formula: C21H26FN3O2S MolecularWeight: 403.513443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=S)NC3=CC=CC=C3F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=S)NC3=CC=CC=C3F)OC)OC

InChI

InChI=1S/C21H26FN3O2S/c1-15-12-19(26-2)20(27-3)13-16(15)14-24-8-10-25(11-9-24)21(28)23-18-7-5-4-6-17(18)22/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,28)