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

Systemtic Name: N-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-benzoyl-4-chloro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2-benzoyl-4-chloroanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-benzoyl-4-chloro-phenyl)thiocarbamoyl]-piperonylamide Formula: C22H15ClN2O4S MolecularWeight: 438.8835

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H15ClN2O4S/c23-15-7-8-17(16(11-15)20(26)13-4-2-1-3-5-13)24-22(30)25-21(27)14-6-9-18-19(10-14)29-12-28-18/h1-11H,12H2,(H2,24,25,27,30)