[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C26H27FN4OS MolecularWeight: 462.582183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN4OS/c27-22-11-13-24(14-12-22)28-25(32)20-33-26(29-23-9-5-2-6-10-23)31-17-15-30(16-18-31)19-21-7-3-1-4-8-21/h1-14H,15-20H2,(H,28,32)