2-(2-adamantylidene)-2-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]ethanamine

Systemtic Name: 2-(2-adamantylidene)-2-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]ethanamine Openeye Name: 2-(2-adamantylidene)-2-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]ethanamine CAS Name: 2-(2-adamantylidene)-2-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]ethanamine IUPAC Name: 2-(2-adamantylidene)-2-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]ethanamine Traditional Name: [2-(2-adamantylidene)-2-[4-(1,3-benzothiazol-2-yl)-3-methyl-phenyl]ethyl]amine Formula: C26H28N2S MolecularWeight: 400.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C3CC4CC(C3)CC2C4)CN)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2C3CC4CC(C3)CC2C4)CN)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H28N2S/c1-15-8-18(6-7-21(15)26-28-23-4-2-3-5-24(23)29-26)22(14-27)25-19-10-16-9-17(12-19)13-20(25)11-16/h2-8,16-17,19-20H,9-14,27H2,1H3