N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

Systemtic Name: N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3OC)Cl)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3OC)Cl)OC)C

InChI

InChI=1S/C22H21ClN2O4S/c1-12-5-6-14(9-13(12)2)17-7-8-18(29-17)21(26)25-22(30)24-16-11-19(27-3)15(23)10-20(16)28-4/h5-11H,1-4H3,(H2,24,25,26,30)