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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

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