N-(2-azanyl-5-phenyl-phenyl)-6-[1-fluoranyl-2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-azanyl-5-phenyl-phenyl)-6-[1-fluoranyl-2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-amino-5-phenyl-phenyl)-6-[1-fluoro-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzothiophene-2-carboxamide CAS Name: N-(2-amino-5-phenylphenyl)-6-[1-fluoro-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-amino-5-phenylphenyl)-6-[1-fluoro-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-amino-5-phenyl-phenyl)-6-[1-fluoro-2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]benzothiophene-2-carboxamide Formula: C31H26FN3O2S MolecularWeight: 523.620443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C(C2=CC3=C(C=C2)C=C(S3)C(=O)NC4=C(C=CC(=C4)C5=CC=CC=C5)N)F

InChI

InChI=1S/C31H26FN3O2S/c1-19(20-8-4-2-5-9-20)34-31(37)29(32)24-13-12-23-17-28(38-27(23)18-24)30(36)35-26-16-22(14-15-25(26)33)21-10-6-3-7-11-21/h2-19,29H,33H2,1H3,(H,34,37)(H,35,36)/t19-,29?/m0/s1