N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-piperonylamide Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C)Br

InChI

InChI=1S/C17H15BrN2O3S/c1-9-5-12(18)6-10(2)15(9)19-17(24)20-16(21)11-3-4-13-14(7-11)23-8-22-13/h3-7H,8H2,1-2H3,(H2,19,20,21,24)