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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

InChI=1S/C18H22N2O2S/c1-13-3-6-17(23-13)18(20-9-2-7-19-8-10-20)14-4-5-15-16(11-14)22-12-21-15/h3-6,11,18-19H,2,7-10,12H2,1H3