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

Systemtic Name: 6-methyl-2-(3-phenylprop-2-ynoylamino)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-methyl-2-(3-phenylprop-2-ynoylamino)-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-methyl-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-methyl-2-(3-phenylprop-2-ynoylamino)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-2-[(3-phenylpropioloyl)amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-17-9-11-20-21(14-17)31-25(28-22(29)12-10-18-6-3-2-4-7-18)23(20)24(30)27-16-19-8-5-13-26-15-19/h2-8,13,15,17H,9,11,14,16H2,1H3,(H,27,30)(H,28,29)