N-(2-azanyl-5-thiophen-2-yl-phenyl)-6-[1-fluoranyl-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-azanyl-5-thiophen-2-yl-phenyl)-6-[1-fluoranyl-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[2-amino-5-(2-thienyl)phenyl]-6-[2-(benzylamino)-1-fluoro-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-6-[1-fluoro-2-oxo-2-[(phenylmethyl)amino]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-amino-5-thiophen-2-ylphenyl)-6-[2-(benzylamino)-1-fluoro-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[2-amino-5-(2-thienyl)phenyl]-6-[2-(benzylamino)-1-fluoro-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C28H22FN3O2S2 MolecularWeight: 515.621583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C2=CC3=C(C=C2)C=C(S3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C2=CC3=C(C=C2)C=C(S3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N)F

InChI

InChI=1S/C28H22FN3O2S2/c29-26(28(34)31-16-17-5-2-1-3-6-17)20-9-8-19-14-25(36-24(19)15-20)27(33)32-22-13-18(10-11-21(22)30)23-7-4-12-35-23/h1-15,26H,16,30H2,(H,31,34)(H,32,33)