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

Systemtic Name: N-[3-[(4-bromophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[3-[(4-bromophenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: N-[3-[(4-bromoanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-[(4-bromophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: N-[3-[(4-bromophenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O2S/c22-14-7-9-15(10-8-14)24-20(27)18-16-5-1-2-6-17(16)28-21(18)25-19(26)13-4-3-11-23-12-13/h3-4,7-12H,1-2,5-6H2,(H,24,27)(H,25,26)