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

Systemtic Name: 5-bromanyl-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-bromo-pyridine-3-carboxamide CAS Name: 5-bromo-N-[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-bromopyridine-3-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-bromo-nicotinamide Formula: C22H20BrN3O2S MolecularWeight: 470.3821

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CN=C3)Br)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CN=C3)Br)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H20BrN3O2S/c23-16-10-15(12-24-13-16)20(27)26-22-19(17-8-4-5-9-18(17)29-22)21(28)25-11-14-6-2-1-3-7-14/h1-3,6-7,10,12-13H,4-5,8-9,11H2,(H,25,28)(H,26,27)