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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O2S/c22-15-9-7-13(8-10-15)19(25)18-16-5-1-2-6-17(16)27-21(18)24-20(26)14-4-3-11-23-12-14/h3-4,7-12H,1-2,5-6H2,(H,24,26)