3-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amino]indol-1-ium-2-one

Systemtic Name: 3-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amino]indol-1-ium-2-one Openeye Name: 3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]indol-1-ium-2-one CAS Name: 3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]-2-indol-1-iumone IUPAC Name: 3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]indol-1-ium-2-one Traditional Name: 3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]indol-1-ium-2-one Formula: C22H16N3OS+ MolecularWeight: 370.44694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC4=C5C=CC=CC5=[NH+]C4=O

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC4=C5C=CC=CC5=[NH+]C4=O

InChI

InChI=1S/C22H15N3OS/c1-13-6-11-19-18(12-13)25-22(27-19)14-7-9-15(10-8-14)23-20-16-4-2-3-5-17(16)24-21(20)26/h2-12H,1H3,(H,23,24,26)/p+1