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

Systemtic Name: N-[(4-bromanyl-2-methyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4-bromo-2-methyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(4-bromo-2-methylanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(4-bromo-2-methylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4-bromo-2-methyl-phenyl)thiocarbamoyl]-piperonylamide Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13BrN2O3S/c1-9-6-11(17)3-4-12(9)18-16(23)19-15(20)10-2-5-13-14(7-10)22-8-21-13/h2-7H,8H2,1H3,(H2,18,19,20,23)