3-chloranyl-N-[4-(2-methylpropanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[4-(2-methylpropanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 3-chloro-N-[4-(2-methylpropanoylcarbamothioylamino)phenyl]benzamide CAS Name: 3-chloro-N-[4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-(2-methylpropanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 3-chloro-N-[4-(isobutyrylthiocarbamoylamino)phenyl]benzamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl

InChI

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