3-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylamino]propyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 3-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylamino]propyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[3-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]propyl]ammonium CAS Name: 3-[[oxo-[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]methyl]amino]propyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]propyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[3-[[4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]propyl]ammonium Formula: C29H32N3O2S+ MolecularWeight: 486.64828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCCNC(=O)C1=CC=C(C=C1)C=C2C(=O)NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+](CCCNC(=O)C1=CC=C(C=C1)C=C2C(=O)NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2S/c1-21(2)32(20-23-9-4-3-5-10-23)18-8-17-30-28(33)24-15-13-22(14-16-24)19-27-29(34)31-25-11-6-7-12-26(25)35-27/h3-7,9-16,19,21H,8,17-18,20H2,1-2H3,(H,30,33)(H,31,34)/p+1