N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-propoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(4-propoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-propoxybenzoyl)thiocarbamoylamino]benzamide Formula: C24H21ClFN3O3S MolecularWeight: 485.958243

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C24H21ClFN3O3S/c1-2-12-32-19-9-6-15(7-10-19)22(30)29-24(33)28-17-5-3-4-16(13-17)23(31)27-18-8-11-21(26)20(25)14-18/h3-11,13-14H,2,12H2,1H3,(H,27,31)(H2,28,29,30,33)