(5S,7R)-3-bromanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C18H23BrN2OS MolecularWeight: 395.35702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C18H23BrN2OS/c19-18-8-11-5-12(9-18)7-17(6-11,10-18)15(22)21-16-20-13-3-1-2-4-14(13)23-16/h11-12H,1-10H2,(H,20,21,22)/t11-,12+,17?,18?