N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C)Br

InChI

InChI=1S/C18H17BrN2O3S/c1-10-7-13(19)8-11(2)16(10)20-18(25)21-17(22)12-3-4-14-15(9-12)24-6-5-23-14/h3-4,7-9H,5-6H2,1-2H3,(H2,20,21,22,25)