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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-piperonylamide Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4S/c1-2-3-17(24)21-12-5-6-13(20)14(9-12)22-19(28)23-18(25)11-4-7-15-16(8-11)27-10-26-15/h4-9H,2-3,10H2,1H3,(H,21,24)(H2,22,23,25,28)