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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN3O2S/c1-25(2,3)16-4-9-19-20(14-16)32-24(29-22(30)15-10-12-27-13-11-15)21(19)23(31)28-18-7-5-17(26)6-8-18/h5-8,10-13,16H,4,9,14H2,1-3H3,(H,28,31)(H,29,30)