1-adamantyl-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C24H31N3OS/c1-15-3-4-20-21(16(15)2)25-23(29-20)27-7-5-26(6-8-27)22(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h3-4,17-19H,5-14H2,1-2H3