3-[methyl-(1-methyl-1-phenyl-aziridin-1-ium-2-yl)amino]-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)benzamide

Systemtic Name: 3-[methyl-(1-methyl-1-phenyl-aziridin-1-ium-2-yl)amino]-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)benzamide Openeye Name: 3-[methyl-(1-methyl-1-phenyl-aziridin-1-ium-2-yl)amino]-N-(2-thioxo-3H-1,3-benzoxazol-6-yl)benzamide CAS Name: 3-[methyl-(1-methyl-1-phenyl-2-aziridin-1-iumyl)amino]-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)benzamide IUPAC Name: 3-[methyl-(1-methyl-1-phenylaziridin-1-ium-2-yl)amino]-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)benzamide Traditional Name: 3-[methyl-(1-methyl-1-phenyl-ethylenimin-1-ium-2-yl)amino]-N-(2-thioxo-3H-1,3-benzoxazol-6-yl)benzamide Formula: C24H23N4O2S+ MolecularWeight: 431.53002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C[N+]1(C)C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)NC4=CC5=C(C=C4)NC(=S)O5

Isomeric SMILES

CN(C1C[N+]1(C)C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)NC4=CC5=C(C=C4)NC(=S)O5

InChI

InChI=1S/C24H22N4O2S/c1-27(22-15-28(22,2)19-9-4-3-5-10-19)18-8-6-7-16(13-18)23(29)25-17-11-12-20-21(14-17)30-24(31)26-20/h3-14,22H,15H2,1-2H3,(H-,25,26,29,31)/p+1