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

Systemtic Name: N-[[4-[(2,4-dichlorophenyl)carbonylamino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[[(2,4-dichlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]thiocarbamoyl]-piperonylamide Formula: C22H15Cl2N3O4S MolecularWeight: 488.3432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15Cl2N3O4S/c23-13-2-7-16(17(24)10-13)21(29)25-14-3-5-15(6-4-14)26-22(32)27-20(28)12-1-8-18-19(9-12)31-11-30-18/h1-10H,11H2,(H,25,29)(H2,26,27,28,32)