N-butyl-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-butyl-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: N-butyl-4-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: N-butyl-4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: N-butyl-4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: N-butyl-4-(2-chloro-4-fluoro-benzyl)-3-keto-1,4-benzothiazine-6-carboxamide Formula: C20H20ClFN2O2S MolecularWeight: 406.901403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H20ClFN2O2S/c1-2-3-8-23-20(26)13-5-7-18-17(9-13)24(19(25)12-27-18)11-14-4-6-15(22)10-16(14)21/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,23,26)