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

Systemtic Name: N-[6-tert-butyl-3-[(4-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[6-tert-butyl-3-[(4-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: N-[6-tert-butyl-3-[(4-ethoxyanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[6-tert-butyl-3-[(4-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: N-[6-tert-butyl-3-(p-phenetylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-5-33-20-11-9-19(10-12-20)29-25(32)23-21-13-8-18(27(2,3)4)15-22(21)34-26(23)30-24(31)17-7-6-14-28-16-17/h6-7,9-12,14,16,18H,5,8,13,15H2,1-4H3,(H,29,32)(H,30,31)