2-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]-4,6-bis(fluoranyl)benzamide

Systemtic Name: 2-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]-4,6-bis(fluoranyl)benzamide Openeye Name: 2-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]-4,6-difluoro-benzamide CAS Name: 2-[2-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]ethyl]-4,6-difluorobenzamide IUPAC Name: 2-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethyl]-4,6-difluorobenzamide Traditional Name: 2-[2-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)ethyl]-4,6-difluoro-benzamide Formula: C16H17F2N3OS MolecularWeight: 337.387486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)NC(=S)NCCC2=CC(=CC(=C2C(=O)N)F)F

Isomeric SMILES

C1CC=C(C=C1)NC(=S)NCCC2=CC(=CC(=C2C(=O)N)F)F

InChI

InChI=1S/C16H17F2N3OS/c17-11-8-10(14(15(19)22)13(18)9-11)6-7-20-16(23)21-12-4-2-1-3-5-12/h2,4-5,8-9H,1,3,6-7H2,(H2,19,22)(H2,20,21,23)