ethyl 4-[[4-(2-adamantyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-adamantyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2-adamantyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2-adamantyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-adamantyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-adamantyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C24H33N3O2S MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H33N3O2S/c1-2-29-23(28)18-3-5-21(6-4-18)25-24(30)27-9-7-26(8-10-27)22-19-12-16-11-17(14-19)15-20(22)13-16/h3-6,16-17,19-20,22H,2,7-15H2,1H3,(H,25,30)