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

Systemtic Name: 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(2-pyridin-3-ylethyl)hexanamide Openeye Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(3-pyridyl)ethyl]hexanamide CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(3-pyridinyl)ethyl]hexanamide IUPAC Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-pyridin-3-ylethyl)hexanamide Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-[2-(3-pyridyl)ethyl]hexanamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)NCCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)NCCC3=CN=CC=C3

InChI

InChI=1S/C20H24N4O3S/c25-19(22-14-11-16-7-6-12-21-15-16)10-2-1-5-13-23-20-17-8-3-4-9-18(17)28(26,27)24-20/h3-4,6-9,12,15H,1-2,5,10-11,13-14H2,(H,22,25)(H,23,24)