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

Systemtic Name: N-[[3-[(2-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[[(2-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-[(2-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=CC(=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4Cl

InChI

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