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

Systemtic Name: 2-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylamino]ethyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl]ammonium CAS Name: 2-[[oxo-[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]methyl]amino]ethyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-[[4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl]ammonium Formula: C28H30N3O2S+ MolecularWeight: 472.6217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O2S/c1-20(2)31(19-22-8-4-3-5-9-22)17-16-29-27(32)23-14-12-21(13-15-23)18-26-28(33)30-24-10-6-7-11-25(24)34-26/h3-15,18,20H,16-17,19H2,1-2H3,(H,29,32)(H,30,33)/p+1