N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]adamantane-1-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]adamantane-1-carboxamide Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H26N2OS/c1-15-19(23-26-21-6-2-3-8-22(21)29-23)5-4-7-20(15)27-24(28)25-12-16-9-17(13-25)11-18(10-16)14-25/h2-8,16-18H,9-14H2,1H3,(H,27,28)