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

Systemtic Name: N-[6-tert-butyl-3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide Openeye Name: N-[6-tert-butyl-3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-4-carboxamide CAS Name: N-[6-tert-butyl-3-[(2-methoxyanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pyridinecarboxamide IUPAC Name: N-[6-tert-butyl-3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide Traditional Name: N-[6-tert-butyl-3-[(2-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]isonicotinamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3OC)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3OC)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C26H29N3O3S/c1-26(2,3)17-9-10-18-21(15-17)33-25(29-23(30)16-11-13-27-14-12-16)22(18)24(31)28-19-7-5-6-8-20(19)32-4/h5-8,11-14,17H,9-10,15H2,1-4H3,(H,28,31)(H,29,30)