1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: N,N-diethyl-1-(homoveratrylthiocarbamoyl)nipecotamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H33N3O3S/c1-5-23(6-2)20(25)17-8-7-13-24(15-17)21(28)22-12-11-16-9-10-18(26-3)19(14-16)27-4/h9-10,14,17H,5-8,11-13,15H2,1-4H3,(H,22,28)