N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-bromanyl-pyridine-3-carboxamide Openeye Name: 5-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyridine-3-carboxamide CAS Name: 5-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide Traditional Name: 5-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)nicotinamide Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C16H16BrN3O2S/c1-8-2-3-11-12(4-8)23-16(13(11)14(18)21)20-15(22)9-5-10(17)7-19-6-9/h5-8H,2-4H2,1H3,(H2,18,21)(H,20,22)