ethyl 4-[2-dimethylaminoethyl-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-dimethylaminoethyl-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-dimethylaminoethyl-[(3-fluoro-4-methyl-phenyl)carbamothioyl]amino]piperidine-1-carboxylate CAS Name: 4-[2-dimethylaminoethyl-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-dimethylaminoethyl-[(3-fluoro-4-methylphenyl)carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[2-dimethylaminoethyl-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H31FN4O2S MolecularWeight: 410.549143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC(=C(C=C2)C)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC(=C(C=C2)C)F

InChI

InChI=1S/C20H31FN4O2S/c1-5-27-20(26)24-10-8-17(9-11-24)25(13-12-23(3)4)19(28)22-16-7-6-15(2)18(21)14-16/h6-7,14,17H,5,8-13H2,1-4H3,(H,22,28)