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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-piperonyl-1,4-diazepane-1-carbothioamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O3S/c1-12(20)18-5-2-6-19(8-7-18)16(23)17-10-13-3-4-14-15(9-13)22-11-21-14/h3-4,9H,2,5-8,10-11H2,1H3,(H,17,23)