N-(1,3-benzodioxol-5-yl)azepane-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)azepane-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)azepane-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-azepanecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)azepane-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)azepane-1-carbothioamide Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H18N2O2S/c19-14(16-7-3-1-2-4-8-16)15-11-5-6-12-13(9-11)18-10-17-12/h5-6,9H,1-4,7-8,10H2,(H,15,19)