N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-piperonylamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16ClN3O4S/c1-2-16(23)20-11-4-5-12(19)13(8-11)21-18(27)22-17(24)10-3-6-14-15(7-10)26-9-25-14/h3-8H,2,9H2,1H3,(H,20,23)(H2,21,22,24,27)