N-(4,6-diacetamido-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(4,6-diacetamido-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: N-(4,6-diacetamido-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: N-(4,6-diacetamido-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: N-(4,6-diacetamido-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(4,6-diacetamido-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C2C(=C1)SC(=N2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C2C(=C1)SC(=N2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C

InChI

InChI=1S/C22H26N4O3S/c1-11(27)23-16-6-17(24-12(2)28)19-18(7-16)30-21(25-19)26-20(29)22-8-13-3-14(9-22)5-15(4-13)10-22/h6-7,13-15H,3-5,8-10H2,1-2H3,(H,23,27)(H,24,28)(H,25,26,29)