N-[3-(4-bromophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-chloranyl-benzamide

Systemtic Name: N-[3-(4-bromophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-chloranyl-benzamide Openeye Name: N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-chloro-benzamide CAS Name: N-[3-[(4-bromophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-chlorobenzamide IUPAC Name: N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-chlorobenzamide Traditional Name: N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-chloro-benzamide Formula: C22H17BrClNO2S MolecularWeight: 474.79788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrClNO2S/c23-15-9-5-13(6-10-15)20(26)19-17-3-1-2-4-18(17)28-22(19)25-21(27)14-7-11-16(24)12-8-14/h5-12H,1-4H2,(H,25,27)