1,3-benzodioxol-5-yl-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: 1,3-benzodioxol-5-yl-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepan-1-yl)methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[2-imidazo[2,1-b][1,3]benzothiazolyl(oxo)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]methanone Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN3C4=CC=CC=C4SC3=N2)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN3C4=CC=CC=C4SC3=N2)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C23H20N4O4S/c28-21(15-6-7-18-19(12-15)31-14-30-18)25-8-3-9-26(11-10-25)22(29)16-13-27-17-4-1-2-5-20(17)32-23(27)24-16/h1-2,4-7,12-13H,3,8-11,14H2