N-(azepan-1-ylcarbothioyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(azepane-1-carbothioyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(azepane-1-carbothioyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(azepane-1-carbothioyl)-piperonylamide Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H18N2O3S/c18-14(11-5-6-12-13(9-11)20-10-19-12)16-15(21)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,16,18,21)