4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxidanyl-piperidine-1-carbothioamide

Systemtic Name: 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxidanyl-piperidine-1-carbothioamide Openeye Name: 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-hydroxy-piperidine-1-carbothioamide CAS Name: 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-hydroxy-1-piperidinecarbothioamide IUPAC Name: 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-hydroxypiperidine-1-carbothioamide Traditional Name: 4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-hydroxy-piperidine-1-carbothioamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)OC

InChI

InChI=1S/C20H23BrN2O3S/c1-25-16-7-8-17(18(13-16)26-2)22-19(27)23-11-9-20(24,10-12-23)14-3-5-15(21)6-4-14/h3-8,13,24H,9-12H2,1-2H3,(H,22,27)