N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]coumarilamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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=CC4=CC=CC=C4O3

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N3O2S2/c1-2-3-6-13-9-10-15-18(11-13)28-21(22-15)24-20(27)23-19(25)17-12-14-7-4-5-8-16(14)26-17/h4-5,7-12H,2-3,6H2,1H3,(H2,22,23,24,25,27)