N-[[5-(pent-1-yn-3-ylamino)-2-(phenylmethyl)-1-benzothiophen-3-yl]methyl]ethanamide

Systemtic Name: N-[[5-(pent-1-yn-3-ylamino)-2-(phenylmethyl)-1-benzothiophen-3-yl]methyl]ethanamide Openeye Name: N-[[2-benzyl-5-(1-ethylprop-2-ynylamino)benzothiophen-3-yl]methyl]acetamide CAS Name: N-[[5-(pent-1-yn-3-ylamino)-2-(phenylmethyl)-1-benzothiophen-3-yl]methyl]acetamide IUPAC Name: N-[[2-benzyl-5-(pent-1-yn-3-ylamino)-1-benzothiophen-3-yl]methyl]acetamide Traditional Name: N-[[2-benzyl-5-(1-ethylprop-2-ynylamino)benzothiophen-3-yl]methyl]acetamide Formula: C23H24N2OS MolecularWeight: 376.51446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#C)NC1=CC2=C(C=C1)SC(=C2CNC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCC(C#C)NC1=CC2=C(C=C1)SC(=C2CNC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H24N2OS/c1-4-18(5-2)25-19-11-12-22-20(14-19)21(15-24-16(3)26)23(27-22)13-17-9-7-6-8-10-17/h1,6-12,14,18,25H,5,13,15H2,2-3H3,(H,24,26)