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

Systemtic Name: N-[(3-bromophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[(3-bromophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[(3-bromoanilino)-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[(3-bromophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[(3-bromophenyl)thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C20H17BrN2O2S MolecularWeight: 429.33018

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(=CC=C3)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O2S/c1-12-6-7-14(10-13(12)2)17-8-9-18(25-17)19(24)23-20(26)22-16-5-3-4-15(21)11-16/h3-11H,1-2H3,(H2,22,23,24,26)