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

Systemtic Name: ethyl 4-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3-chloro-4-methoxy-phenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-(2-dimethylaminoethyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-methoxyphenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H31ClN4O3S MolecularWeight: 443.00314

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H31ClN4O3S/c1-5-28-20(26)24-10-8-16(9-11-24)25(13-12-23(2)3)19(29)22-15-6-7-18(27-4)17(21)14-15/h6-7,14,16H,5,8-13H2,1-4H3,(H,22,29)