ethyl 4-methyl-2-[2-[4-(phenylmethyl)piperidin-1-yl]carbothioylsulfanylethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-[4-(phenylmethyl)piperidin-1-yl]carbothioylsulfanylethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(4-benzylpiperidine-1-carbothioyl)sulfanylacetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]thio]ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzylpiperidine-1-carbothioyl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(4-benzylpiperidine-1-carbothioyl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H27N3O3S3 MolecularWeight: 477.66308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC(=S)N2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC(=S)N2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O3S3/c1-3-28-20(27)19-15(2)23-21(31-19)24-18(26)14-30-22(29)25-11-9-17(10-12-25)13-16-7-5-4-6-8-16/h4-8,17H,3,9-14H2,1-2H3,(H,23,24,26)