6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-imidazol-1-ylphenyl)hexanamide

Systemtic Name: 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-imidazol-1-ylphenyl)hexanamide Openeye Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-imidazol-1-ylphenyl)hexanamide CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[4-(1-imidazolyl)phenyl]hexanamide IUPAC Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-imidazol-1-ylphenyl)hexanamide Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(4-imidazol-1-ylphenyl)hexanamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)NC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)NC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C22H23N5O3S/c28-21(25-17-9-11-18(12-10-17)27-15-14-23-16-27)8-2-1-5-13-24-22-19-6-3-4-7-20(19)31(29,30)26-22/h3-4,6-7,9-12,14-16H,1-2,5,8,13H2,(H,24,26)(H,25,28)