N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)carbonyl-piperidine-1-carbothioamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)carbonyl-piperidine-1-carbothioamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)piperidine-1-carbothioamide CAS Name: N-(2,4-dimethoxyphenyl)-4-[(4-fluorophenyl)-oxomethyl]-1-piperidinecarbothioamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)piperidine-1-carbothioamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)piperidine-1-carbothioamide Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O3S/c1-26-17-7-8-18(19(13-17)27-2)23-21(28)24-11-9-15(10-12-24)20(25)14-3-5-16(22)6-4-14/h3-8,13,15H,9-12H2,1-2H3,(H,23,28)