N-(4-butylphenyl)-1-ethyl-2,2-bis(oxidanylidene)-4-phenyl-2$l^{6},1-benzothiazine-3-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-ethyl-2,2-bis(oxidanylidene)-4-phenyl-2$l^{6},1-benzothiazine-3-carboxamide Openeye Name: N-(4-butylphenyl)-1-ethyl-2,2-dioxo-4-phenyl-2$l^{6},1-benzothiazine-3-carboxamide CAS Name: N-(4-butylphenyl)-1-ethyl-2,2-dioxo-4-phenyl-2$l^{6},1-benzothiazine-3-carboxamide IUPAC Name: N-(4-butylphenyl)-1-ethyl-2,2-dioxo-4-phenyl-2$l^{6},1-benzothiazine-3-carboxamide Traditional Name: N-(4-butylphenyl)-1-ethyl-2,2-diketo-4-phenyl-2$l^{6},1-benzothiazine-3-carboxamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3N(S2(=O)=O)CC)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3N(S2(=O)=O)CC)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3S/c1-3-5-11-20-16-18-22(19-17-20)28-27(30)26-25(21-12-7-6-8-13-21)23-14-9-10-15-24(23)29(4-2)33(26,31)32/h6-10,12-19H,3-5,11H2,1-2H3,(H,28,30)