4-tert-butyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 4-tert-butyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 4-tert-butyl-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 4-tert-butyl-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 4-tert-butyl-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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