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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-ethoxyphenyl)hexanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-ethoxyphenyl)hexanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-ethoxyphenyl)hexanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-ethoxyphenyl)hexanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-p-phenetyl-hexanamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC=C(C=C1)OCC)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)NC1=CC=C(C=C1)OCC)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H25N3O4S/c1-3-5-9-18(21(25)22-15-11-13-16(14-12-15)28-4-2)23-20-17-8-6-7-10-19(17)29(26,27)24-20/h6-8,10-14,18H,3-5,9H2,1-2H3,(H,22,25)(H,23,24)