N-[[2,4-bis(fluoranyl)phenyl]methyl]-2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[(2,4-difluorophenyl)methyl]-2-[1-[(4-dimethylaminophenyl)carbamothioyl]-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[(2,4-difluorophenyl)methyl]-2-[1-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[(2,4-difluorophenyl)methyl]-2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(2,4-difluorobenzyl)-2-[1-[(4-dimethylaminophenyl)thiocarbamoyl]-4-piperidyl]thiazole-4-carboxamide Formula: C25H27F2N5OS2 MolecularWeight: 515.641586

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(=O)NCC4=C(C=C(C=C4)F)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(=O)NCC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C25H27F2N5OS2/c1-31(2)20-7-5-19(6-8-20)29-25(34)32-11-9-16(10-12-32)24-30-22(15-35-24)23(33)28-14-17-3-4-18(26)13-21(17)27/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,33)(H,29,34)