4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-N-(furan-2-ylmethyl)benzenesulfonamide

Systemtic Name: 4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-N-(furan-2-ylmethyl)benzenesulfonamide Openeye Name: 4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-N-(2-furylmethyl)benzenesulfonamide CAS Name: 4-[(1E)-1-(1,3-benzothiazol-2-ylhydrazinylidene)ethyl]-N-(2-furanylmethyl)benzenesulfonamide IUPAC Name: 4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-N-(furan-2-ylmethyl)benzenesulfonamide Traditional Name: 4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-N-(2-furfuryl)benzenesulfonamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

C/C(=N\NC1=NC2=CC=CC=C2S1)/C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C20H18N4O3S2/c1-14(23-24-20-22-18-6-2-3-7-19(18)28-20)15-8-10-17(11-9-15)29(25,26)21-13-16-5-4-12-27-16/h2-12,21H,13H2,1H3,(H,22,24)/b23-14+