5-[(2-methylphenyl)methylsulfanylmethyl]-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]furan-2-carboxamide

Systemtic Name: 5-[(2-methylphenyl)methylsulfanylmethyl]-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]furan-2-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-5-(o-tolylmethylsulfanylmethyl)furan-2-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-5-yl]-5-[[(2-methylphenyl)methylthio]methyl]-2-furancarboxamide IUPAC Name: 5-[(2-methylphenyl)methylsulfanylmethyl]-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]furan-2-carboxamide Traditional Name: N-[2-(isobutyrylamino)-1,3-benzothiazol-5-yl]-5-[[(2-methylbenzyl)thio]methyl]-2-furamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)SC(=N4)NC(=O)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CSCC2=CC=C(O2)C(=O)NC3=CC4=C(C=C3)SC(=N4)NC(=O)C(C)C

InChI

InChI=1S/C25H25N3O3S2/c1-15(2)23(29)28-25-27-20-12-18(8-11-22(20)33-25)26-24(30)21-10-9-19(31-21)14-32-13-17-7-5-4-6-16(17)3/h4-12,15H,13-14H2,1-3H3,(H,26,30)(H,27,28,29)