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

Systemtic Name: N-[3-(4-bromophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide Openeye Name: N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-4-carboxamide CAS Name: N-[3-[(4-bromophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pyridinecarboxamide IUPAC Name: N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide Traditional Name: N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]isonicotinamide Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O2S/c22-15-7-5-13(6-8-15)19(25)18-16-3-1-2-4-17(16)27-21(18)24-20(26)14-9-11-23-12-10-14/h5-12H,1-4H2,(H,24,26)