5-bromanyl-2-chloranyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C19H19BrClN3O3S MolecularWeight: 484.79446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrClN3O3S/c1-10(2)17(25)23-15-7-5-12(9-16(15)27-3)22-19(28)24-18(26)13-8-11(20)4-6-14(13)21/h4-10H,1-3H3,(H,23,25)(H2,22,24,26,28)