N-[6-(butanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-(butanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-(butanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-(butanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-(butyrylthiocarbamoylamino)-1,3-benzothiazol-2-yl]-2-furamide Formula: C17H16N4O3S2 MolecularWeight: 388.46394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C17H16N4O3S2/c1-2-4-14(22)20-16(25)18-10-6-7-11-13(9-10)26-17(19-11)21-15(23)12-5-3-8-24-12/h3,5-9H,2,4H2,1H3,(H,19,21,23)(H2,18,20,22,25)