N-(4-fluorophenyl)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(4-fluorophenyl)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)thiazole-4-carboxamide CAS Name: N-(4-fluorophenyl)-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazino)methyl]-N-(4-fluorophenyl)thiazole-4-carboxamide Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=NC(=CS3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=NC(=CS3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4OS/c23-18-6-8-19(9-7-18)24-22(28)20-16-29-21(25-20)15-27-12-10-26(11-13-27)14-17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,24,28)