3-[2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]ethanoylamino]propyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 3-[2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]ethanoylamino]propyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[3-[[2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propyl]-isopropyl-ammonium CAS Name: 3-[[1-oxo-2-[3-oxo-2-(phenylmethylene)-1,4-benzothiazin-4-yl]ethyl]amino]propyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-[[2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propyl]-propan-2-ylazanium Traditional Name: 3-[[2-(2-benzal-3-keto-1,4-benzothiazin-4-yl)acetyl]amino]propyl-benzyl-isopropyl-ammonium Formula: C30H34N3O2S+ MolecularWeight: 500.67486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCCNC(=O)CN1C2=CC=CC=C2SC(=CC3=CC=CC=C3)C1=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+](CCCNC(=O)CN1C2=CC=CC=C2SC(=CC3=CC=CC=C3)C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O2S/c1-23(2)32(21-25-14-7-4-8-15-25)19-11-18-31-29(34)22-33-26-16-9-10-17-27(26)36-28(30(33)35)20-24-12-5-3-6-13-24/h3-10,12-17,20,23H,11,18-19,21-22H2,1-2H3,(H,31,34)/p+1