N-[4-(dimethylamino)-3-[[propyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-(dimethylamino)-3-[[propyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl]-2-methyl-propanamide Openeye Name: N-[4-(dimethylamino)-3-[[propyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl]-2-methyl-propanamide CAS Name: N-[4-(dimethylamino)-3-[[(1-oxo-2-thiophen-2-ylethyl)-propylamino]methyl]phenyl]-2-methylpropanamide IUPAC Name: N-[4-(dimethylamino)-3-[[propyl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl]-2-methylpropanamide Traditional Name: N-[4-(dimethylamino)-3-[[propyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl]-2-methyl-propionamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C(C=CC(=C1)NC(=O)C(C)C)N(C)C)C(=O)CC2=CC=CS2

Isomeric SMILES

CCCN(CC1=C(C=CC(=C1)NC(=O)C(C)C)N(C)C)C(=O)CC2=CC=CS2

InChI

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