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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-cyclooctyl-3-methyl-butanamide Openeye Name: N-cyclooctyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-butanamide CAS Name: N-cyclooctyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanamide IUPAC Name: N-cyclooctyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanamide Traditional Name: N-cyclooctyl-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-butyramide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)NC1CCCCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H29N3O3S/c1-14(2)18(20(24)21-15-10-6-4-3-5-7-11-15)22-19-16-12-8-9-13-17(16)27(25,26)23-19/h8-9,12-15,18H,3-7,10-11H2,1-2H3,(H,21,24)(H,22,23)