(5S,7R)-3-bromanyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]adamantane-1-carboxamide Formula: C19H22BrN3OS MolecularWeight: 420.36648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NNC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=N/NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C19H22BrN3OS/c1-23-14-4-2-3-5-15(14)25-17(23)22-21-16(24)18-7-12-6-13(8-18)10-19(20,9-12)11-18/h2-5,12-13H,6-11H2,1H3,(H,21,24)/b22-17+/t12-,13+,18?,19?