N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-5-sulfonamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-5-sulfonamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-diketo-1H-pyrimidine-5-sulfonamide Formula: C17H12N4O4S2 MolecularWeight: 400.43158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CNC(=O)NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CNC(=O)NC4=O

InChI

InChI=1S/C17H12N4O4S2/c22-15-14(9-18-17(23)20-15)27(24,25)21-11-7-5-10(6-8-11)16-19-12-3-1-2-4-13(12)26-16/h1-9,21H,(H2,18,20,22,23)