N-[2-chloranyl-4-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-chloranyl-4-[(3,5-dimethoxyphenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-chloro-4-[(3,5-dimethoxybenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-chloro-4-[[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-chloro-4-[(3,5-dimethoxybenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-chloro-4-[(3,5-dimethoxybenzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)Cl)OC

InChI

InChI=1S/C21H18ClN3O5S/c1-28-14-8-12(9-15(11-14)29-2)19(26)25-21(31)23-13-5-6-17(16(22)10-13)24-20(27)18-4-3-7-30-18/h3-11H,1-2H3,(H,24,27)(H2,23,25,26,31)