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

Systemtic Name: N-[6-tert-butyl-3-[(2,4-dimethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide Openeye Name: N-[6-tert-butyl-3-[(2,4-dimethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-4-carboxamide CAS Name: N-[6-tert-butyl-3-[(2,4-dimethylanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pyridinecarboxamide IUPAC Name: N-[6-tert-butyl-3-[(2,4-dimethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide Traditional Name: N-[6-tert-butyl-3-[(2,4-dimethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]isonicotinamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=NC=C4)C

InChI

InChI=1S/C27H31N3O2S/c1-16-6-9-21(17(2)14-16)29-25(32)23-20-8-7-19(27(3,4)5)15-22(20)33-26(23)30-24(31)18-10-12-28-13-11-18/h6,9-14,19H,7-8,15H2,1-5H3,(H,29,32)(H,30,31)