1-adamantyl-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H31N3O2S/c1-2-29-19-3-4-20-21(12-19)30-23(25-20)27-7-5-26(6-8-27)22(28)24-13-16-9-17(14-24)11-18(10-16)15-24/h3-4,12,16-18H,2,5-11,13-15H2,1H3