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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-[(2-methylphenyl)methyl]hexanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(o-tolylmethyl)hexanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(2-methylphenyl)methyl]hexanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(2-methylphenyl)methyl]hexanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(2-methylbenzyl)hexanamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1=CC=CC=C1C)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)NCC1=CC=CC=C1C)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3S/c1-3-4-12-18(21(25)22-14-16-10-6-5-9-15(16)2)23-20-17-11-7-8-13-19(17)28(26,27)24-20/h5-11,13,18H,3-4,12,14H2,1-2H3,(H,22,25)(H,23,24)