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

Systemtic Name: methyl N-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-N'-nitro-N-(2-phenylethanoyl)carbamimidothioate Openeye Name: N-[(2-chlorothiazol-5-yl)methyl]-N-[(E)-C-methylsulfanyl-N-nitro-carbonimidoyl]-2-phenyl-acetamide CAS Name: N-[(2-chloro-5-thiazolyl)methyl]-N'-nitro-N-(1-oxo-2-phenylethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-nitro-N-(2-phenylacetyl)carbamimidothioate Traditional Name: N-[(2-chlorothiazol-5-yl)methyl]-N-[(E)-C-(methylthio)-N-nitro-carbonimidoyl]-2-phenyl-acetamide Formula: C14H13ClN4O3S2 MolecularWeight: 384.86102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=N[N+](=O)[O-])N(CC1=CN=C(S1)Cl)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CS/C(=N/[N+](=O)[O-])/N(CC1=CN=C(S1)Cl)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H13ClN4O3S2/c1-23-14(17-19(21)22)18(9-11-8-16-13(15)24-11)12(20)7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3/b17-14+