2,2-dimethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]propionamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)CC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)CC2=CC=NC=C2

InChI

InChI=1S/C18H21N3OS/c1-18(2,3)16(22)21-17(23)20-15-6-4-13(5-7-15)12-14-8-10-19-11-9-14/h4-11H,12H2,1-3H3,(H2,20,21,22,23)