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

Systemtic Name: N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[[(3-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-piperonylamide Formula: C22H16ClN3O4S MolecularWeight: 453.89814

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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=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O4S/c23-15-3-1-2-13(10-15)20(27)24-16-5-7-17(8-6-16)25-22(31)26-21(28)14-4-9-18-19(11-14)30-12-29-18/h1-11H,12H2,(H,24,27)(H2,25,26,28,31)