N-[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]thiocarbamoyl]-piperonylamide Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H20N2O4S/c1-3-11(2)12-4-6-15(22)14(8-12)20-19(26)21-18(23)13-5-7-16-17(9-13)25-10-24-16/h4-9,11,22H,3,10H2,1-2H3,(H2,20,21,23,26)/t11-/m0/s1