[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C26H26ClFN4OS MolecularWeight: 497.027243

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClFN4OS/c27-23-17-22(11-12-24(23)28)29-25(33)19-34-26(30-21-9-5-2-6-10-21)32-15-13-31(14-16-32)18-20-7-3-1-4-8-20/h1-12,17H,13-16,18-19H2,(H,29,33)