ethyl 4-[2-dimethylaminoethyl-[(3-methylphenyl)carbamothioyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-dimethylaminoethyl-[(3-methylphenyl)carbamothioyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-dimethylaminoethyl(m-tolylcarbamothioyl)amino]piperidine-1-carboxylate CAS Name: 4-[2-dimethylaminoethyl-[(3-methylanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-dimethylaminoethyl-[(3-methylphenyl)carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[2-dimethylaminoethyl(m-tolylthiocarbamoyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O2S/c1-5-26-20(25)23-11-9-18(10-12-23)24(14-13-22(3)4)19(27)21-17-8-6-7-16(2)15-17/h6-8,15,18H,5,9-14H2,1-4H3,(H,21,27)