2-azanylidene-3-[2,4-bis(oxidanylidene)-4-phenyl-butanoyl]-1,3-benzothiazole-6-sulfonamide

Systemtic Name: 2-azanylidene-3-[2,4-bis(oxidanylidene)-4-phenyl-butanoyl]-1,3-benzothiazole-6-sulfonamide Openeye Name: 3-(2,4-dioxo-4-phenyl-butanoyl)-2-imino-1,3-benzothiazole-6-sulfonamide CAS Name: 2-imino-3-(1,2,4-trioxo-4-phenylbutyl)-1,3-benzothiazole-6-sulfonamide IUPAC Name: 3-(2,4-dioxo-4-phenylbutanoyl)-2-imino-1,3-benzothiazole-6-sulfonamide Traditional Name: 3-(2,4-diketo-4-phenyl-butanoyl)-2-imino-1,3-benzothiazole-6-sulfonamide Formula: C17H13N3O5S2 MolecularWeight: 403.43222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(=O)C(=O)N2C3=C(C=C(C=C3)S(=O)(=O)N)SC2=N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(=O)C(=O)N2C3=C(C=C(C=C3)S(=O)(=O)N)SC2=N

InChI

InChI=1S/C17H13N3O5S2/c18-17-20(12-7-6-11(27(19,24)25)8-15(12)26-17)16(23)14(22)9-13(21)10-4-2-1-3-5-10/h1-8,18H,9H2,(H2,19,24,25)