3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]propyl 4-bromanylbenzoate

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]propyl 4-bromanylbenzoate Openeye Name: 3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl ester IUPAC Name: 3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)propyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 3-(N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)propyl ester Formula: C23H19BrN2O4S MolecularWeight: 499.37696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCCOC(=O)C2=CC=C(C=C2)Br)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N(CCCOC(=O)C2=CC=C(C=C2)Br)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H19BrN2O4S/c24-18-13-11-17(12-14-18)23(27)30-16-6-15-26(19-7-2-1-3-8-19)22-20-9-4-5-10-21(20)31(28,29)25-22/h1-5,7-14H,6,15-16H2