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

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-piperonylamide Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C19H18ClN3O4S/c20-14-10-13(2-3-15(14)23-5-7-25-8-6-23)21-19(28)22-18(24)12-1-4-16-17(9-12)27-11-26-16/h1-4,9-10H,5-8,11H2,(H2,21,22,24,28)