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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-benzyl-N-(4-chloro-2,5-dimethoxy-phenyl)piperidine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-1-carbothioamide Traditional Name: 4-benzyl-N-(4-chloro-2,5-dimethoxy-phenyl)piperidine-1-carbothioamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)CC3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)CC3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-25-19-14-18(20(26-2)13-17(19)22)23-21(27)24-10-8-16(9-11-24)12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,23,27)