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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC=NC=C4

InChI

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