methyl N-methyl-N'-nitro-N-(2-phenylethanoyl)carbamimidothioate

Systemtic Name: methyl N-methyl-N'-nitro-N-(2-phenylethanoyl)carbamimidothioate Openeye Name: N-methyl-N-[(Z)-C-methylsulfanyl-N-nitro-carbonimidoyl]-2-phenyl-acetamide CAS Name: N-methyl-N'-nitro-N-(1-oxo-2-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-methyl-N'-nitro-N-(2-phenylacetyl)carbamimidothioate Traditional Name: N-methyl-N-[(Z)-C-(methylthio)-N-nitro-carbonimidoyl]-2-phenyl-acetamide Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CC1=CC=CC=C1)C(=N[N+](=O)[O-])SC

Isomeric SMILES

CN(C(=O)CC1=CC=CC=C1)/C(=N/[N+](=O)[O-])/SC

InChI

InChI=1S/C11H13N3O3S/c1-13(11(18-2)12-14(16)17)10(15)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/b12-11-