1-[1,3-benzodioxol-5-yl-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-thienyl)methyl]-1,4-diazepane Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

InChI=1S/C19H24N2O2S/c1-2-15-5-7-18(24-15)19(21-10-3-8-20-9-11-21)14-4-6-16-17(12-14)23-13-22-16/h4-7,12,19-20H,2-3,8-11,13H2,1H3