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

Systemtic Name: N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-propyl-thiophene-2-carboxamide Openeye Name: N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-propyl-thiophene-2-carboxamide CAS Name: N-[[2-(dimethylamino)-5-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-N-propyl-2-thiophenecarboxamide IUPAC Name: N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-propylthiophene-2-carboxamide Traditional Name: N-[2-(dimethylamino)-5-(isobutyrylamino)benzyl]-N-propyl-thiophene-2-carboxamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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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)C2=CC=CS2

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-6-11-24(21(26)19-8-7-12-27-19)14-16-13-17(22-20(25)15(2)3)9-10-18(16)23(4)5/h7-10,12-13,15H,6,11,14H2,1-5H3,(H,22,25)