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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CSC5=CC=CC=C54

InChI

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