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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-2-furamide Formula: C23H21Cl2N3O2S MolecularWeight: 474.40274

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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=C(C(=CC=C3)Cl)N4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C(=CC=C3)Cl)N4CCCC4)Cl

InChI

InChI=1S/C23H21Cl2N3O2S/c1-14-7-8-15(13-17(14)25)19-9-10-20(30-19)22(29)27-23(31)26-18-6-4-5-16(24)21(18)28-11-2-3-12-28/h4-10,13H,2-3,11-12H2,1H3,(H2,26,27,29,31)