N-(4-fluorophenyl)-1,1-bis(oxidanylidene)-3-(4-phenylpiperazin-1-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-fluorophenyl)-1,1-bis(oxidanylidene)-3-(4-phenylpiperazin-1-yl)-1-benzothiophene-2-carboxamide Openeye Name: N-(4-fluorophenyl)-1,1-dioxo-3-(4-phenylpiperazin-1-yl)benzothiophene-2-carboxamide CAS Name: N-(4-fluorophenyl)-1,1-dioxo-3-(4-phenyl-1-piperazinyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-fluorophenyl)-1,1-dioxo-3-(4-phenylpiperazin-1-yl)-1-benzothiophene-2-carboxamide Traditional Name: N-(4-fluorophenyl)-1,1-diketo-3-(4-phenylpiperazino)benzothiophene-2-carboxamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(S(=O)(=O)C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(S(=O)(=O)C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C25H22FN3O3S/c26-18-10-12-19(13-11-18)27-25(30)24-23(21-8-4-5-9-22(21)33(24,31)32)29-16-14-28(15-17-29)20-6-2-1-3-7-20/h1-13H,14-17H2,(H,27,30)