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

Systemtic Name: ethyl 4-[2-dimethylaminoethyl-[(2-methylphenyl)carbamothioyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-dimethylaminoethyl(o-tolylcarbamothioyl)amino]piperidine-1-carboxylate CAS Name: 4-[2-dimethylaminoethyl-[(2-methylanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-dimethylaminoethyl-[(2-methylphenyl)carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[2-dimethylaminoethyl(o-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=C2C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC=CC=C2C

InChI

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