ethyl 4-[2-dimethylaminoethyl-[(2,5-dimethylphenyl)carbamothioyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-dimethylaminoethyl-[(2,5-dimethylphenyl)carbamothioyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-dimethylaminoethyl-[(2,5-dimethylphenyl)carbamothioyl]amino]piperidine-1-carboxylate CAS Name: 4-[2-dimethylaminoethyl-[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-dimethylaminoethyl-[(2,5-dimethylphenyl)carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[2-dimethylaminoethyl-[(2,5-dimethylphenyl)thiocarbamoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H34N4O2S MolecularWeight: 406.58526

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O2S/c1-6-27-21(26)24-11-9-18(10-12-24)25(14-13-23(4)5)20(28)22-19-15-16(2)7-8-17(19)3/h7-8,15,18H,6,9-14H2,1-5H3,(H,22,28)