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

Systemtic Name: methyl N-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-N'-nitro-N-pentanoyl-carbamimidothioate Openeye Name: N-[(2-chlorothiazol-5-yl)methyl]-N-[(Z)-C-methylsulfanyl-N-nitro-carbonimidoyl]pentanamide CAS Name: N-[(2-chloro-5-thiazolyl)methyl]-N'-nitro-N-(1-oxopentyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-nitro-N-pentanoylcarbamimidothioate Traditional Name: N-[(2-chlorothiazol-5-yl)methyl]-N-[(Z)-C-(methylthio)-N-nitro-carbonimidoyl]valeramide Formula: C11H15ClN4O3S2 MolecularWeight: 350.8448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CN=C(S1)Cl)C(=N[N+](=O)[O-])SC

Isomeric SMILES

CCCCC(=O)N(CC1=CN=C(S1)Cl)/C(=N/[N+](=O)[O-])/SC

InChI

InChI=1S/C11H15ClN4O3S2/c1-3-4-5-9(17)15(11(20-2)14-16(18)19)7-8-6-13-10(12)21-8/h6H,3-5,7H2,1-2H3/b14-11-