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

Systemtic Name: ethyl 2-[1-[(2-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-[(2-methylsulfanylphenyl)carbamothioyl]-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[[2-(methylthio)anilino]-sulfanylidenemethyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[(2-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-[[2-(methylthio)phenyl]thiocarbamoyl]-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H23N3O2S3 MolecularWeight: 421.59982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=S)NC3=CC=CC=C3SC

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=S)NC3=CC=CC=C3SC

InChI

InChI=1S/C19H23N3O2S3/c1-3-24-18(23)15-12-27-17(20-15)13-8-10-22(11-9-13)19(25)21-14-6-4-5-7-16(14)26-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,25)