5-bromanyl-N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[(3-chloro-2-methyl-phenyl)carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C18H18BrClN2O2S MolecularWeight: 441.76972

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C18H18BrClN2O2S/c1-3-9-24-16-8-7-12(19)10-13(16)17(23)22-18(25)21-15-6-4-5-14(20)11(15)2/h4-8,10H,3,9H2,1-2H3,(H2,21,22,23,25)