N-[N'-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-N-nitro-carbamimidoyl]-N-methyl-benzamide

Systemtic Name: N-[N'-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-N-nitro-carbamimidoyl]-N-methyl-benzamide Openeye Name: N-[N'-[(2-chlorothiazol-5-yl)methyl]-N-nitro-carbamimidoyl]-N-methyl-benzamide CAS Name: N-[(2-chloro-5-thiazolyl)methylimino-nitramidomethyl]-N-methylbenzamide IUPAC Name: N-[N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-nitrocarbamimidoyl]-N-methylbenzamide Traditional Name: N-[N'-[(2-chlorothiazol-5-yl)methyl]-N-nitro-amidino]-N-methyl-benzamide Formula: C13H12ClN5O3S MolecularWeight: 353.78408

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC=CC=C1)C(=NCC2=CN=C(S2)Cl)N[N+](=O)[O-]

Isomeric SMILES

CN(C(=O)C1=CC=CC=C1)C(=NCC2=CN=C(S2)Cl)N[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN5O3S/c1-18(11(20)9-5-3-2-4-6-9)13(17-19(21)22)16-8-10-7-15-12(14)23-10/h2-7H,8H2,1H3,(H,16,17)