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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-(4-chloro-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-(4-chloro-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)CC3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)CC3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C20H24ClN3O2S/c1-25-18-13-17(19(26-2)12-16(18)21)22-20(27)24-10-8-23(9-11-24)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,27)