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

Systemtic Name: 3-bromanyl-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C18H17BrClN3O3S MolecularWeight: 470.76788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrClN3O3S/c1-3-16(24)21-11-5-6-13(20)14(9-11)22-18(27)23-17(25)10-4-7-15(26-2)12(19)8-10/h4-9H,3H2,1-2H3,(H,21,24)(H2,22,23,25,27)