N-[2-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyrazin-1-ium-1-carboxamide

Systemtic Name: N-[2-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyrazin-1-ium-1-carboxamide Openeye Name: N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-N-benzyl-pyrazin-1-ium-1-carboxamide CAS Name: N-[2-[4-(2-amino-4-thiazolyl)anilino]-2-oxoethyl]-N-(phenylmethyl)-1-pyrazin-1-iumcarboxamide IUPAC Name: N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylpyrazin-1-ium-1-carboxamide Traditional Name: N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-keto-ethyl]-N-benzyl-pyrazin-1-ium-1-carboxamide Formula: C23H21N6O2S+ MolecularWeight: 445.51684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)[N+]4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)[N+]4=CC=NC=C4

InChI

InChI=1S/C23H20N6O2S/c24-22-27-20(16-32-22)18-6-8-19(9-7-18)26-21(30)15-29(14-17-4-2-1-3-5-17)23(31)28-12-10-25-11-13-28/h1-13,16H,14-15H2,(H2-,24,26,27,30)/p+1