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

Systemtic Name: N-[3-[(4-bromophenyl)carbamoyl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[3-[(4-bromophenyl)carbamoyl]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: N-[3-[(4-bromoanilino)-oxomethyl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-[(4-bromophenyl)carbamoyl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: N-[3-[(4-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=C(C=C3)Br)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=O)C4=CN=CC=C4

InChI

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