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

Systemtic Name: 2,4-dimethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,4-dimethyl-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2,4-dimethyl-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dimethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,4-dimethyl-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)C

InChI

InChI=1S/C22H21N3OS/c1-15-3-8-20(16(2)13-15)21(26)25-22(27)24-19-6-4-17(5-7-19)14-18-9-11-23-12-10-18/h3-13H,14H2,1-2H3,(H2,24,25,26,27)