N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-piperonylamide Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O3S/c20-14-10-13(4-5-15(14)23-7-1-2-8-23)21-19(27)22-18(24)12-3-6-16-17(9-12)26-11-25-16/h3-6,9-10H,1-2,7-8,11H2,(H2,21,22,24,27)