6-tert-butyl-N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-N-(4-ethoxyphenyl)-2-[(4-fluorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-N-(4-ethoxyphenyl)-2-[[(4-fluorophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-N-(4-ethoxyphenyl)-2-[(4-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[(4-fluorobenzoyl)amino]-N-p-phenetyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H31FN2O3S MolecularWeight: 494.620743

Click to see the large picture

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=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C28H31FN2O3S/c1-5-34-21-13-11-20(12-14-21)30-26(33)24-22-15-8-18(28(2,3)4)16-23(22)35-27(24)31-25(32)17-6-9-19(29)10-7-17/h6-7,9-14,18H,5,8,15-16H2,1-4H3,(H,30,33)(H,31,32)