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

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[(3-chloro-2-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=C(C(=CC=C3)Cl)N4CCCCC4)C

Isomeric SMILES

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

InChI

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