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

Systemtic Name: 2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-N-(2-fluoranyl-4-methyl-phenyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-[(4-dimethylaminophenyl)carbamothioyl]-4-piperidyl]-N-(2-fluoro-4-methyl-phenyl)thiazole-4-carboxamide CAS Name: 2-[1-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]-4-piperidinyl]-N-(2-fluoro-4-methylphenyl)-4-thiazolecarboxamide IUPAC Name: 2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[(4-dimethylaminophenyl)thiocarbamoyl]-4-piperidyl]-N-(2-fluoro-4-methyl-phenyl)thiazole-4-carboxamide Formula: C25H28FN5OS2 MolecularWeight: 497.651123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=S)NC4=CC=C(C=C4)N(C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=S)NC4=CC=C(C=C4)N(C)C)F

InChI

InChI=1S/C25H28FN5OS2/c1-16-4-9-21(20(26)14-16)28-23(32)22-15-34-24(29-22)17-10-12-31(13-11-17)25(33)27-18-5-7-19(8-6-18)30(2)3/h4-9,14-15,17H,10-13H2,1-3H3,(H,27,33)(H,28,32)