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

Systemtic Name: 4-bromanyl-N-[1-(4-butan-2-ylphenyl)propyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: 4-bromo-3-chloro-N-[1-(4-sec-butylphenyl)propyl]benzothiophene-2-carboxamide CAS Name: 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: 4-bromo-3-chloro-N-[1-(4-sec-butylphenyl)propyl]benzothiophene-2-carboxamide Formula: C22H23BrClNOS MolecularWeight: 464.84612

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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=CC=C3Br)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=C(C3=C(S2)C=CC=C3Br)Cl

InChI

InChI=1S/C22H23BrClNOS/c1-4-13(3)14-9-11-15(12-10-14)17(5-2)25-22(26)21-20(24)19-16(23)7-6-8-18(19)27-21/h6-13,17H,4-5H2,1-3H3,(H,25,26)