N-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-chloranyl-4-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-chloranyl-4-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-benzothiophene-2-carboxamide CAS Name: N-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-chloro-4-fluoro-benzothiophene-2-carboxamide Formula: C21H21ClFNOS MolecularWeight: 389.913943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl

InChI

InChI=1S/C21H21ClFNOS/c1-12(13-8-10-14(11-9-13)21(2,3)4)24-20(25)19-18(22)17-15(23)6-5-7-16(17)26-19/h5-12H,1-4H3,(H,24,25)/t12-/m1/s1