4-chloranyl-N-[2,2-dimethyl-1-(pyridin-3-ylcarbamothioylamino)propyl]benzamide

Systemtic Name: 4-chloranyl-N-[2,2-dimethyl-1-(pyridin-3-ylcarbamothioylamino)propyl]benzamide Openeye Name: 4-chloro-N-[2,2-dimethyl-1-(3-pyridylcarbamothioylamino)propyl]benzamide CAS Name: 4-chloro-N-[2,2-dimethyl-1-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]propyl]benzamide IUPAC Name: 4-chloro-N-[2,2-dimethyl-1-(pyridin-3-ylcarbamothioylamino)propyl]benzamide Traditional Name: 4-chloro-N-[2,2-dimethyl-1-(3-pyridylthiocarbamoylamino)propyl]benzamide Formula: C18H21ClN4OS MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4OS/c1-18(2,3)16(22-15(24)12-6-8-13(19)9-7-12)23-17(25)21-14-5-4-10-20-11-14/h4-11,16H,1-3H3,(H,22,24)(H2,21,23,25)