N-(4-ethylphenyl)-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-ethylphenyl)-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-ethylphenyl)-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-ethylphenyl)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-ethylphenyl)-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-ethylphenyl)-2-[(3-phenylpropioloyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O2S/c1-2-18-12-15-20(16-13-18)27-25(30)24-21-10-6-7-11-22(21)31-26(24)28-23(29)17-14-19-8-4-3-5-9-19/h3-5,8-9,12-13,15-16H,2,6-7,10-11H2,1H3,(H,27,30)(H,28,29)