2-[(4-ethoxy-3-methoxy-phenyl)methylidene]-4-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,4-benzothiazin-3-one

Systemtic Name: 2-[(4-ethoxy-3-methoxy-phenyl)methylidene]-4-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,4-benzothiazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-[(4-ethoxy-3-methoxy-phenyl)methylene]-4-methyl-1,4-benzothiazin-3-one CAS Name: 2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1,4-benzothiazin-3-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-ethoxy-3-methoxy-benzylidene)-4-methyl-1,4-benzothiazin-3-one Formula: C31H34N3O4S+ MolecularWeight: 544.68436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5)C)OC

InChI

InChI=1S/C31H33N3O4S/c1-4-38-26-12-10-23(18-27(26)37-3)19-29-31(36)32(2)25-20-24(11-13-28(25)39-29)30(35)34-16-14-33(15-17-34)21-22-8-6-5-7-9-22/h5-13,18-20H,4,14-17,21H2,1-3H3/p+1