5-(3,4-dimethylphenyl)-N-[(2,6-dimethylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(2,6-dimethylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(2,6-dimethylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: N-[(2,6-dimethylanilino)-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2,6-dimethylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(2,6-dimethylphenyl)thiocarbamoyl]-2-furamide Formula: C22H22N2O2S MolecularWeight: 378.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S/c1-13-8-9-17(12-16(13)4)18-10-11-19(26-18)21(25)24-22(27)23-20-14(2)6-5-7-15(20)3/h5-12H,1-4H3,(H2,23,24,25,27)