methyl 2-[[4-(2-adamantyl)piperazin-1-yl]carbothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(2-adamantyl)piperazin-1-yl]carbothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2-adamantyl)piperazine-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-adamantyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-adamantyl)piperazine-1-carbothioyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-adamantyl)piperazine-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C23H33N3O2S2 MolecularWeight: 447.65702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OC

InChI

InChI=1S/C23H33N3O2S2/c1-3-18-13-19(22(27)28-2)21(30-18)24-23(29)26-6-4-25(5-7-26)20-16-9-14-8-15(11-16)12-17(20)10-14/h13-17,20H,3-12H2,1-2H3,(H,24,29)