N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,4-diazepane-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,4-diazepane-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,4-diazepane-1-carbothioamide Traditional Name: 4-methyl-N-piperonyl-1,4-diazepane-1-carbothioamide Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1CCCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H21N3O2S/c1-17-5-2-6-18(8-7-17)15(21)16-10-12-3-4-13-14(9-12)20-11-19-13/h3-4,9H,2,5-8,10-11H2,1H3,(H,16,21)