4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-N-phenethyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-N-phenethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-N-phenethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[2-imidazo[2,1-b][1,3]benzothiazolyl(oxo)methyl]-N-phenethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-N-phenethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-N-phenethyl-1,4-diazepane-1-carboxamide Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C(=O)C3=CN4C5=CC=CC=C5SC4=N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C(=O)C3=CN4C5=CC=CC=C5SC4=N3

InChI

InChI=1S/C24H25N5O2S/c30-22(19-17-29-20-9-4-5-10-21(20)32-24(29)26-19)27-13-6-14-28(16-15-27)23(31)25-12-11-18-7-2-1-3-8-18/h1-5,7-10,17H,6,11-16H2,(H,25,31)