3-bromanyl-N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(3-chloro-4-methoxy-phenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H24BrClN2O3S MolecularWeight: 499.84886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl)Br

InChI

InChI=1S/C21H24BrClN2O3S/c1-3-4-5-6-11-28-18-9-7-14(12-16(18)22)20(26)25-21(29)24-15-8-10-19(27-2)17(23)13-15/h7-10,12-13H,3-6,11H2,1-2H3,(H2,24,25,26,29)