5-(4-bromophenyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-furamide Formula: C23H20BrN3O2S2 MolecularWeight: 514.4578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3O2S2/c1-2-3-4-14-5-10-17-20(13-14)31-23(25-17)27-22(30)26-21(28)19-12-11-18(29-19)15-6-8-16(24)9-7-15/h5-13H,2-4H2,1H3,(H2,25,26,27,28,30)