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

Systemtic Name: ethyl 4-[2-dimethylaminoethyl-[(4-phenoxyphenyl)carbamothioyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-dimethylaminoethyl-[(4-phenoxyphenyl)carbamothioyl]amino]piperidine-1-carboxylate CAS Name: 4-[2-dimethylaminoethyl-[(4-phenoxyanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-dimethylaminoethyl-[(4-phenoxyphenyl)carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[2-dimethylaminoethyl-[(4-phenoxyphenyl)thiocarbamoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O3S/c1-4-31-25(30)28-16-14-21(15-17-28)29(19-18-27(2)3)24(33)26-20-10-12-23(13-11-20)32-22-8-6-5-7-9-22/h5-13,21H,4,14-19H2,1-3H3,(H,26,33)