3-chloranyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3OS/c21-17-3-1-2-16(13-17)19(25)24-20(26)23-18-6-4-14(5-7-18)12-15-8-10-22-11-9-15/h1-11,13H,12H2,(H2,23,24,25,26)