2-(1-adamantylcarbonylamino)-N-[2,6-bis(chloranyl)phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(1-adamantylcarbonylamino)-N-[2,6-bis(chloranyl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(adamantane-1-carbonylamino)-N-(2,6-dichlorophenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-N-(2,6-dichlorophenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(adamantane-1-carbonylamino)-N-(2,6-dichlorophenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(adamantane-1-carbonylamino)-N-(2,6-dichlorophenyl)-1,3-benzothiazole-6-carboxamide Formula: C25H23Cl2N3O2S MolecularWeight: 500.44002

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)C(=O)NC6=C(C=CC=C6Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)C(=O)NC6=C(C=CC=C6Cl)Cl

InChI

InChI=1S/C25H23Cl2N3O2S/c26-17-2-1-3-18(27)21(17)29-22(31)16-4-5-19-20(9-16)33-24(28-19)30-23(32)25-10-13-6-14(11-25)8-15(7-13)12-25/h1-5,9,13-15H,6-8,10-12H2,(H,29,31)(H,28,30,32)