N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C18H18Cl2N2OS MolecularWeight: 381.31932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC5=C(C=CC(=C5S4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC5=C(C=CC(=C5S4)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2OS/c19-12-1-2-13(20)15-14(12)21-17(24-15)22-16(23)18-6-9-3-10(7-18)5-11(4-9)8-18/h1-2,9-11H,3-8H2,(H,21,22,23)