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

Systemtic Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-propyl-thiophene-2-carboxamide Openeye Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-propyl-thiophene-2-carboxamide CAS Name: N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-N-propyl-2-thiophenecarboxamide IUPAC Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-propylthiophene-2-carboxamide Traditional Name: N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]-N-propyl-thiophene-2-carboxamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C(C=CC(=C1)NC(=O)CC(C)C)N(C)C)C(=O)C2=CC=CS2

Isomeric SMILES

CCCN(CC1=C(C=CC(=C1)NC(=O)CC(C)C)N(C)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C22H31N3O2S/c1-6-11-25(22(27)20-8-7-12-28-20)15-17-14-18(9-10-19(17)24(4)5)23-21(26)13-16(2)3/h7-10,12,14,16H,6,11,13,15H2,1-5H3,(H,23,26)