N-[4-[(4-chloranyl-4-ethylsulfanyl-cyclohexa-1,5-dien-1-yl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(4-chloranyl-4-ethylsulfanyl-cyclohexa-1,5-dien-1-yl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(4-chloro-4-ethylsulfanyl-cyclohexa-1,5-dien-1-yl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[[4-chloro-4-(ethylthio)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(4-chloro-4-ethylsulfanylcyclohexa-1,5-dien-1-yl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[[4-chloro-4-(ethylthio)cyclohexa-1,5-dien-1-yl]thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H21ClFN3OS2 MolecularWeight: 462.003043

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CCSC1(CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C22H21ClFN3OS2/c1-2-30-22(23)13-11-17(12-14-22)27-21(29)26-16-9-7-15(8-10-16)25-20(28)18-5-3-4-6-19(18)24/h3-13H,2,14H2,1H3,(H,25,28)(H2,26,27,29)