4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-[3-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]-5-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-[3-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C19H22F3N5OS MolecularWeight: 425.47109

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)N3CCN(CC3)C(=O)N)C(F)(F)F

Isomeric SMILES

C1CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)N3CCN(CC3)C(=O)N)C(F)(F)F

InChI

InChI=1S/C19H22F3N5OS/c20-19(21,22)13-10-15(25-18(29)24-14-4-2-1-3-5-14)12-16(11-13)26-6-8-27(9-7-26)17(23)28/h2,4-5,10-12H,1,3,6-9H2,(H2,23,28)(H2,24,25,29)