N-(2-ethyl-6-methyl-phenyl)-4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-[2-imidazo[2,1-b][1,3]benzothiazolyl(oxo)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carboxamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)N2CCCN(CC2)C(=O)C3=CN4C5=CC=CC=C5SC4=N3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)N2CCCN(CC2)C(=O)C3=CN4C5=CC=CC=C5SC4=N3)C

InChI

InChI=1S/C25H27N5O2S/c1-3-18-9-6-8-17(2)22(18)27-24(32)29-13-7-12-28(14-15-29)23(31)19-16-30-20-10-4-5-11-21(20)33-25(30)26-19/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,27,32)