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

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-piperonylamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-11(2)17(23)20-13-4-3-5-14(9-13)21-19(27)22-18(24)12-6-7-15-16(8-12)26-10-25-15/h3-9,11H,10H2,1-2H3,(H,20,23)(H2,21,22,24,27)