N'-butyl-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]phenyl]sulfonyl-carbamimidate

Systemtic Name: N'-butyl-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]phenyl]sulfonyl-carbamimidate Openeye Name: N'-butyl-N-[4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]phenyl]sulfonyl-carbamimidate CAS Name: N'-butyl-N-[4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylcarbamimidate IUPAC Name: N'-butyl-N-[4-[(3-chloro-4-fluorophenyl)carbamothioylamino]phenyl]sulfonylcarbamimidate Traditional Name: N'-butyl-N-[4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]phenyl]sulfonyl-carbamimidate Formula: C18H19ClFN4O3S2- MolecularWeight: 457.949863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl)[O-]

Isomeric SMILES

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl)[O-]

InChI

InChI=1S/C18H20ClFN4O3S2/c1-2-3-10-21-17(25)24-29(26,27)14-7-4-12(5-8-14)22-18(28)23-13-6-9-16(20)15(19)11-13/h4-9,11H,2-3,10H2,1H3,(H2,21,24,25)(H2,22,23,28)/p-1