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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C25H26ClN3O2S MolecularWeight: 468.01084

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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)N4CCCCC4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCCCC4)Cl)C

InChI

InChI=1S/C25H26ClN3O2S/c1-16-6-7-18(14-17(16)2)22-10-11-23(31-22)24(30)28-25(32)27-19-8-9-21(20(26)15-19)29-12-4-3-5-13-29/h6-11,14-15H,3-5,12-13H2,1-2H3,(H2,27,28,30,32)