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

Systemtic Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide Openeye Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide CAS Name: N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-N-(2-methoxyethyl)-2-thiophenecarboxamide IUPAC Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide Traditional Name: N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]-N-(2-methoxyethyl)thiophene-2-carboxamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-16(2)13-21(26)23-18-8-9-19(24(3)4)17(14-18)15-25(10-11-28-5)22(27)20-7-6-12-29-20/h6-9,12,14,16H,10-11,13,15H2,1-5H3,(H,23,26)