N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide

Systemtic Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide Openeye Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-isobutyl-thiophene-2-carboxamide CAS Name: N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-N-(2-methylpropyl)-2-thiophenecarboxamide IUPAC Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide Traditional Name: N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]-N-isobutyl-thiophene-2-carboxamide Formula: C23H33N3O2S MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC(C)C)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC(C)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C23H33N3O2S/c1-16(2)12-22(27)24-19-9-10-20(25(5)6)18(13-19)15-26(14-17(3)4)23(28)21-8-7-11-29-21/h7-11,13,16-17H,12,14-15H2,1-6H3,(H,24,27)