2-chloranyl-N-[4-[(4-fluorophenyl)carbonylcarbamothioylamino]-2-methoxy-phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[4-[(4-fluorophenyl)carbonylcarbamothioylamino]-2-methoxy-phenyl]benzamide Openeye Name: 2-chloro-N-[4-[(4-fluorobenzoyl)carbamothioylamino]-2-methoxy-phenyl]benzamide CAS Name: 2-chloro-N-[4-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]benzamide IUPAC Name: 2-chloro-N-[4-[(4-fluorobenzoyl)carbamothioylamino]-2-methoxyphenyl]benzamide Traditional Name: 2-chloro-N-[4-[(4-fluorobenzoyl)thiocarbamoylamino]-2-methoxy-phenyl]benzamide Formula: C22H17ClFN3O3S MolecularWeight: 457.905083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H17ClFN3O3S/c1-30-19-12-15(25-22(31)27-20(28)13-6-8-14(24)9-7-13)10-11-18(19)26-21(29)16-4-2-3-5-17(16)23/h2-12H,1H3,(H,26,29)(H2,25,27,28,31)