N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-5-(2,4-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-5-(2,4-dichlorophenyl)-2-furamide Formula: C22H18Cl3N3O2S MolecularWeight: 494.82122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C22H18Cl3N3O2S/c23-13-3-5-15(16(24)11-13)19-7-8-20(30-19)21(29)27-22(31)26-14-4-6-18(17(25)12-14)28-9-1-2-10-28/h3-8,11-12H,1-2,9-10H2,(H2,26,27,29,31)