3-acetamido-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-thiophen-2-yl-propanamide

Systemtic Name: 3-acetamido-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-[[2-(dimethylamino)-3-pyridyl]methyl]-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-[[2-(dimethylamino)-3-pyridyl]methyl]-3-(2-thienyl)propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCC1=C(N=CC=C1)N(C)C)C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)NCC1=C(N=CC=C1)N(C)C)C2=CC=CS2

InChI

InChI=1S/C17H22N4O2S/c1-12(22)20-14(15-7-5-9-24-15)10-16(23)19-11-13-6-4-8-18-17(13)21(2)3/h4-9,14H,10-11H2,1-3H3,(H,19,23)(H,20,22)