ethyl 5-[2-[1-[(2-chloranyl-4-methyl-phenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[2-[1-[(2-chloranyl-4-methyl-phenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[2-[1-[(2-chloro-4-methyl-phenyl)carbamothioyl]-4-piperidyl]thiazol-4-yl]isoxazole-3-carboxylate CAS Name: 5-[2-[1-[(2-chloro-4-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-4-thiazolyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[1-[(2-chloro-4-methylphenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[2-[1-[(2-chloro-4-methyl-phenyl)thiocarbamoyl]-4-piperidyl]thiazol-4-yl]isoxazole-3-carboxylic acid ethyl ester Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)C3CCN(CC3)C(=S)NC4=C(C=C(C=C4)C)Cl

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)C3CCN(CC3)C(=S)NC4=C(C=C(C=C4)C)Cl

InChI

InChI=1S/C22H23ClN4O3S2/c1-3-29-21(28)17-11-19(30-26-17)18-12-32-20(24-18)14-6-8-27(9-7-14)22(31)25-16-5-4-13(2)10-15(16)23/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,25,31)