methyl-[2-[2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]ethanoylamino]ethyl]-phenethyl-azanium

Systemtic Name: methyl-[2-[2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]ethanoylamino]ethyl]-phenethyl-azanium Openeye Name: 2-[[2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]ethyl-methyl-phenethyl-ammonium CAS Name: methyl-[2-[[1-oxo-2-[3-oxo-2-(phenylmethylene)-1,4-benzothiazin-4-yl]ethyl]amino]ethyl]-phenethylammonium IUPAC Name: 2-[[2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]ethyl-methyl-phenethylazanium Traditional Name: 2-[[2-(2-benzal-3-keto-1,4-benzothiazin-4-yl)acetyl]amino]ethyl-methyl-phenethyl-ammonium Formula: C28H30N3O2S+ MolecularWeight: 472.6217

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

InChI

InChI=1S/C28H29N3O2S/c1-30(18-16-22-10-4-2-5-11-22)19-17-29-27(32)21-31-24-14-8-9-15-25(24)34-26(28(31)33)20-23-12-6-3-7-13-23/h2-15,20H,16-19,21H2,1H3,(H,29,32)/p+1