N-(4-bromanyl-2-methyl-phenyl)-2-cyclopropyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-cyclopropyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-cyclopropyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-2-cyclopropyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-cyclopropyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-cyclopropyl-1,1,3-triketo-1,2-benzothiazole-6-carboxamide Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC3=C(C=C2)C(=O)N(S3(=O)=O)C4CC4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC3=C(C=C2)C(=O)N(S3(=O)=O)C4CC4

InChI

InChI=1S/C18H15BrN2O4S/c1-10-8-12(19)3-7-15(10)20-17(22)11-2-6-14-16(9-11)26(24,25)21(18(14)23)13-4-5-13/h2-3,6-9,13H,4-5H2,1H3,(H,20,22)