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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-phenylsulfanylpropyl)hexanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-phenylsulfanylpropyl)hexanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(phenylthio)propyl]hexanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-phenylsulfanylpropyl)hexanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-[3-(phenylthio)propyl]hexanamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCCSC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)NCCCSC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H27N3O3S2/c1-2-3-13-19(22(26)23-15-9-16-29-17-10-5-4-6-11-17)24-21-18-12-7-8-14-20(18)30(27,28)25-21/h4-8,10-12,14,19H,2-3,9,13,15-16H2,1H3,(H,23,26)(H,24,25)