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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl(benzothiophen-2-yl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-2-yl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl(1-benzothiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl(benzothiophen-2-yl)methyl]-1,4-diazepane Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C21H22N2O2S/c1-2-5-19-15(4-1)13-20(26-19)21(23-10-3-8-22-9-11-23)16-6-7-17-18(12-16)25-14-24-17/h1-2,4-7,12-13,21-22H,3,8-11,14H2