N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-(valerylamino)phenyl]thiocarbamoyl]-piperonylamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-2-3-7-18(24)21-14-5-4-6-15(11-14)22-20(28)23-19(25)13-8-9-16-17(10-13)27-12-26-16/h4-6,8-11H,2-3,7,12H2,1H3,(H,21,24)(H2,22,23,25,28)