[azanyl-(2-phenylethanoylamino)methylidene]-(4-oxidanylidene-1,3-benzothiazin-2-yl)azanium

Systemtic Name: [azanyl-(2-phenylethanoylamino)methylidene]-(4-oxidanylidene-1,3-benzothiazin-2-yl)azanium Openeye Name: [amino-[(2-phenylacetyl)amino]methylene]-(4-oxo-1,3-benzothiazin-2-yl)ammonium CAS Name: [amino-[(1-oxo-2-phenylethyl)amino]methylidene]-(4-oxo-1,3-benzothiazin-2-yl)ammonium IUPAC Name: [amino-[(2-phenylacetyl)amino]methylidene]-(4-oxo-1,3-benzothiazin-2-yl)azanium Traditional Name: [amino-[(2-phenylacetyl)amino]methylene]-(4-keto-1,3-benzothiazin-2-yl)ammonium Formula: C17H15N4O2S+ MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=[NH+]C2=NC(=O)C3=CC=CC=C3S2)N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=[NH+]C2=NC(=O)C3=CC=CC=C3S2)N

InChI

InChI=1S/C17H14N4O2S/c18-16(19-14(22)10-11-6-2-1-3-7-11)21-17-20-15(23)12-8-4-5-9-13(12)24-17/h1-9H,10H2,(H3,18,19,20,21,22,23)/p+1