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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-phenylsulfanylethyl)hexanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-phenylsulfanylethyl)hexanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(phenylthio)ethyl]hexanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-phenylsulfanylethyl)hexanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-[2-(phenylthio)ethyl]hexanamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCSC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)NCCSC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3S2/c1-2-3-12-18(21(25)22-14-15-28-16-9-5-4-6-10-16)23-20-17-11-7-8-13-19(17)29(26,27)24-20/h4-11,13,18H,2-3,12,14-15H2,1H3,(H,22,25)(H,23,24)