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

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C24H24ClN3O2S MolecularWeight: 453.98426

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O2S/c1-15-8-9-17(14-16(15)2)20-10-11-21(30-20)23(29)27-24(31)26-19-7-5-6-18(25)22(19)28-12-3-4-13-28/h5-11,14H,3-4,12-13H2,1-2H3,(H2,26,27,29,31)