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

Systemtic Name: ethyl 4-[2-dimethylaminoethyl-[(2-ethoxyphenyl)carbamothioyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-dimethylaminoethyl-[(2-ethoxyphenyl)carbamothioyl]amino]piperidine-1-carboxylate CAS Name: 4-[2-dimethylaminoethyl-[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-dimethylaminoethyl-[(2-ethoxyphenyl)carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[2-dimethylaminoethyl(o-phenetylthiocarbamoyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N(CCN(C)C)C2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N(CCN(C)C)C2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C21H34N4O3S/c1-5-27-19-10-8-7-9-18(19)22-20(29)25(16-15-23(3)4)17-11-13-24(14-12-17)21(26)28-6-2/h7-10,17H,5-6,11-16H2,1-4H3,(H,22,29)