2-(2-dimethylaminoethyloxy)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 2-(2-dimethylaminoethyloxy)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 2-(2-dimethylaminoethyloxy)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 2-(2-dimethylaminoethyloxy)-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-(2-dimethylaminoethyloxy)-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-2-(2-dimethylaminoethyloxy)nicotinamide Formula: C23H29F3N4O3S MolecularWeight: 498.56157

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)OCCN(C)C)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)OCCN(C)C)C(F)(F)F

InChI

InChI=1S/C23H29F3N4O3S/c1-4-5-6-13-32-19-10-9-16(15-18(19)23(24,25)26)28-22(34)29-20(31)17-8-7-11-27-21(17)33-14-12-30(2)3/h7-11,15H,4-6,12-14H2,1-3H3,(H2,28,29,31,34)