(2Z)-N-butyl-4-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazine-6-carboxamide

Systemtic Name: (2Z)-N-butyl-4-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazine-6-carboxamide Openeye Name: (2Z)-2-benzylidene-N-butyl-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: (2Z)-N-butyl-4-[(4-fluorophenyl)methyl]-3-oxo-2-(phenylmethylene)-1,4-benzothiazine-6-carboxamide IUPAC Name: (2Z)-2-benzylidene-N-butyl-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: (2Z)-2-benzal-N-butyl-4-(4-fluorobenzyl)-3-keto-1,4-benzothiazine-6-carboxamide Formula: C27H25FN2O2S MolecularWeight: 460.563003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)S/C(=C\C3=CC=CC=C3)/C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H25FN2O2S/c1-2-3-15-29-26(31)21-11-14-24-23(17-21)30(18-20-9-12-22(28)13-10-20)27(32)25(33-24)16-19-7-5-4-6-8-19/h4-14,16-17H,2-3,15,18H2,1H3,(H,29,31)/b25-16-