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

Systemtic Name: N-[3-[(2-bromophenyl)carbamoyl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[3-[(2-bromophenyl)carbamoyl]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: N-[3-[(2-bromoanilino)-oxomethyl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-[(2-bromophenyl)carbamoyl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: N-[3-[(2-bromophenyl)carbamoyl]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide Formula: C25H26BrN3O2S MolecularWeight: 512.46184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3Br)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3Br)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H26BrN3O2S/c1-25(2,3)16-10-11-17-20(13-16)32-24(29-22(30)15-7-6-12-27-14-15)21(17)23(31)28-19-9-5-4-8-18(19)26/h4-9,12,14,16H,10-11,13H2,1-3H3,(H,28,31)(H,29,30)