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

Systemtic Name: 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-phenylpropyl)hexanamide Openeye Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-phenylpropyl)hexanamide CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-phenylpropyl)hexanamide IUPAC Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-phenylpropyl)hexanamide Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(3-phenylpropyl)hexanamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H27N3O3S/c26-21(23-17-9-12-18-10-3-1-4-11-18)15-5-2-8-16-24-22-19-13-6-7-14-20(19)29(27,28)25-22/h1,3-4,6-7,10-11,13-14H,2,5,8-9,12,15-17H2,(H,23,26)(H,24,25)