3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 3,4-dimethyl-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 3,4-dimethyl-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 3,4-dimethyl-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)C

InChI

InChI=1S/C16H17N3OS/c1-11-5-6-14(8-12(11)2)15(20)19-16(21)18-10-13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H2,18,19,20,21)