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

Systemtic Name: N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-pyrrolidinophenyl)thiocarbamoyl]-piperonylamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O3S/c23-18(13-7-8-16-17(11-13)25-12-24-16)21-19(26)20-14-5-1-2-6-15(14)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2,(H2,20,21,23,26)