N-[3-(butanoylcarbamothioylamino)phenyl]-2-chloranyl-benzamide

Systemtic Name: N-[3-(butanoylcarbamothioylamino)phenyl]-2-chloranyl-benzamide Openeye Name: N-[3-(butanoylcarbamothioylamino)phenyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[3-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[3-(butanoylcarbamothioylamino)phenyl]-2-chlorobenzamide Traditional Name: N-[3-(butyrylthiocarbamoylamino)phenyl]-2-chloro-benzamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H18ClN3O2S/c1-2-6-16(23)22-18(25)21-13-8-5-7-12(11-13)20-17(24)14-9-3-4-10-15(14)19/h3-5,7-11H,2,6H2,1H3,(H,20,24)(H2,21,22,23,25)