5-(3,4-dimethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(4-pyrrolidinophenyl)thiocarbamoyl]-2-furamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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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=C3)N4CCCC4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2S/c1-16-5-6-18(15-17(16)2)21-11-12-22(29-21)23(28)26-24(30)25-19-7-9-20(10-8-19)27-13-3-4-14-27/h5-12,15H,3-4,13-14H2,1-2H3,(H2,25,26,28,30)