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

Systemtic Name: ethyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3-chloro-2-methyl-phenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-(2-dimethylaminoethyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-2-methylphenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(3-chloro-2-methyl-phenyl)thiocarbamoyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H31ClN4O2S MolecularWeight: 427.00374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31ClN4O2S/c1-5-27-20(26)24-11-9-16(10-12-24)25(14-13-23(3)4)19(28)22-18-8-6-7-17(21)15(18)2/h6-8,16H,5,9-14H2,1-4H3,(H,22,28)