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

Systemtic Name: ethyl 4-[2-dimethylaminoethyl-[(3-methoxyphenyl)carbamothioyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-dimethylaminoethyl-[(3-methoxyphenyl)carbamothioyl]amino]piperidine-1-carboxylate CAS Name: 4-[2-dimethylaminoethyl-[(3-methoxyanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-dimethylaminoethyl-[(3-methoxyphenyl)carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[2-dimethylaminoethyl-[(3-methoxyphenyl)thiocarbamoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H32N4O3S MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O3S/c1-5-27-20(25)23-11-9-17(10-12-23)24(14-13-22(2)3)19(28)21-16-7-6-8-18(15-16)26-4/h6-8,15,17H,5,9-14H2,1-4H3,(H,21,28)