N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]furan-2-carboxamide

Systemtic Name: N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]furan-2-carboxamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]furan-2-carboxamide CAS Name: N-[4-[[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]thio]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]-2-furamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H17N3O3S2/c1-13(19(25)24-21-23-16-5-2-3-7-18(16)29-21)28-15-10-8-14(9-11-15)22-20(26)17-6-4-12-27-17/h2-13H,1H3,(H,22,26)(H,23,24,25)