N-[(4-bromanyl-2-chloranyl-phenyl)carbamothioyl]-4-butoxy-benzamide

Systemtic Name: N-[(4-bromanyl-2-chloranyl-phenyl)carbamothioyl]-4-butoxy-benzamide Openeye Name: N-[(4-bromo-2-chloro-phenyl)carbamothioyl]-4-butoxy-benzamide CAS Name: N-[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-[(4-bromo-2-chlorophenyl)carbamothioyl]-4-butoxybenzamide Traditional Name: N-[(4-bromo-2-chloro-phenyl)thiocarbamoyl]-4-butoxy-benzamide Formula: C18H18BrClN2O2S MolecularWeight: 441.76972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

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