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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC(C)C)C(=O)CC2=CC=CS2

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC(C)C)C(=O)CC2=CC=CS2

InChI

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