ethyl 2-[1-[(2-chloranyl-4-methyl-phenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-[(2-chloranyl-4-methyl-phenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-[(2-chloro-4-methyl-phenyl)carbamothioyl]-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[(2-chloro-4-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[(2-chloro-4-methylphenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-[(2-chloro-4-methyl-phenyl)thiocarbamoyl]-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H22ClN3O2S2 MolecularWeight: 423.97988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=S)NC3=C(C=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=S)NC3=C(C=C(C=C3)C)Cl

InChI

InChI=1S/C19H22ClN3O2S2/c1-3-25-18(24)16-11-27-17(21-16)13-6-8-23(9-7-13)19(26)22-15-5-4-12(2)10-14(15)20/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,22,26)