N-[1-(4-butan-2-ylphenyl)propyl]-3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[1-(4-sec-butylphenyl)propyl]benzothiophene-2-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[1-(4-sec-butylphenyl)propyl]benzothiophene-2-carboxamide Formula: C22H23ClFNOS MolecularWeight: 403.940523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C22H23ClFNOS/c1-4-13(3)14-6-8-15(9-7-14)18(5-2)25-22(26)21-20(23)17-11-10-16(24)12-19(17)27-21/h6-13,18H,4-5H2,1-3H3,(H,25,26)