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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[[4-(1-piperidyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(4-piperidinophenyl)thiocarbamoyl]-2-furamide Formula: C25H27N3O2S MolecularWeight: 433.56578

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2S/c1-17-6-7-19(16-18(17)2)22-12-13-23(30-22)24(29)27-25(31)26-20-8-10-21(11-9-20)28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H2,26,27,29,31)