4-propan-2-yl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 4-propan-2-yl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 4-isopropyl-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 4-propan-2-yl-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-propan-2-yl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 4-isopropyl-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C17H19N3OS/c1-12(2)14-5-7-15(8-6-14)16(21)20-17(22)19-11-13-4-3-9-18-10-13/h3-10,12H,11H2,1-2H3,(H2,19,20,21,22)