N-(4-bromanyl-3-methyl-phenyl)-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(3-keto-1,2-benzothiazol-2-yl)propionamide Formula: C17H15BrN2O2S MolecularWeight: 391.2822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3S2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3S2)Br

InChI

InChI=1S/C17H15BrN2O2S/c1-10-9-12(7-8-14(10)18)19-16(21)11(2)20-17(22)13-5-3-4-6-15(13)23-20/h3-9,11H,1-2H3,(H,19,21)