N-(1,3-benzodioxol-5-yl)-4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[2-imidazo[2,1-b][1,3]benzothiazolyl(oxo)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carboxamide Formula: C23H21N5O4S MolecularWeight: 463.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CN5C6=CC=CC=C6SC5=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CN5C6=CC=CC=C6SC5=N4

InChI

InChI=1S/C23H21N5O4S/c29-21(16-13-28-17-4-1-2-5-20(17)33-23(28)25-16)26-8-3-9-27(11-10-26)22(30)24-15-6-7-18-19(12-15)32-14-31-18/h1-2,4-7,12-13H,3,8-11,14H2,(H,24,30)