2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-bromanyl-3-methyl-phenyl)-3-methyl-butanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-bromanyl-3-methyl-phenyl)-3-methyl-butanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-butanamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-butyramide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32)Br

InChI

InChI=1S/C19H20BrN3O3S/c1-11(2)17(19(24)21-13-8-9-15(20)12(3)10-13)22-18-14-6-4-5-7-16(14)27(25,26)23-18/h4-11,17H,1-3H3,(H,21,24)(H,22,23)