N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-2-cyano-phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-2-cyano-phenyl]furan-2-carboxamide Openeye Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-2-cyano-phenyl]furan-2-carboxamide CAS Name: N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-2-cyanophenyl]-2-furancarboxamide IUPAC Name: N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-cyanophenyl]furan-2-carboxamide Traditional Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-2-cyano-phenyl]-2-furamide Formula: C21H17ClN4O4S MolecularWeight: 456.90208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C#N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C#N)Cl)OC

InChI

InChI=1S/C21H17ClN4O4S/c1-28-18-10-19(29-2)16(9-14(18)22)26-21(31)24-13-5-6-15(12(8-13)11-23)25-20(27)17-4-3-7-30-17/h3-10H,1-2H3,(H,25,27)(H2,24,26,31)