N-[(2-cyanophenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2-cyanophenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-cyanophenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-cyanophenyl)thiocarbamoyl]-piperonylamide Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C#N

InChI

InChI=1S/C16H11N3O3S/c17-8-11-3-1-2-4-12(11)18-16(23)19-15(20)10-5-6-13-14(7-10)22-9-21-13/h1-7H,9H2,(H2,18,19,20,23)