N-(phenylmethyl)-2-(3-phenylprop-2-ynoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: N-(phenylmethyl)-2-(3-phenylprop-2-ynoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: N-benzyl-2-(3-phenylprop-2-ynoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[(1-oxo-3-phenylprop-2-ynyl)amino]-N-(phenylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: N-benzyl-2-(3-phenylprop-2-ynoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: N-benzyl-2-[(3-phenylpropioloyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)NCC3=CC=CC=C3)NC(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)NCC3=CC=CC=C3)NC(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O2S/c29-23(17-16-19-10-4-1-5-11-19)28-26-24(21-14-8-3-9-15-22(21)31-26)25(30)27-18-20-12-6-2-7-13-20/h1-2,4-7,10-13H,3,8-9,14-15,18H2,(H,27,30)(H,28,29)