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

Systemtic Name: ethyl 4-[2-dimethylaminoethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-dimethylaminoethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]piperidine-1-carboxylate CAS Name: 4-[2-dimethylaminoethyl-[[3-(methylthio)anilino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-dimethylaminoethyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[2-dimethylaminoethyl-[[3-(methylthio)phenyl]thiocarbamoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H32N4O2S2 MolecularWeight: 424.62368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O2S2/c1-5-26-20(25)23-11-9-17(10-12-23)24(14-13-22(2)3)19(27)21-16-7-6-8-18(15-16)28-4/h6-8,15,17H,5,9-14H2,1-4H3,(H,21,27)