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

Systemtic Name: butyl N-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-N-(N'-methyl-N-nitro-carbamimidoyl)carbamate Openeye Name: butyl N-[(2-chlorothiazol-5-yl)methyl]-N-(N'-methyl-N-nitro-carbamimidoyl)carbamate CAS Name: N-[(2-chloro-5-thiazolyl)methyl]-N-[methylimino(nitramido)methyl]carbamic acid butyl ester IUPAC Name: butyl N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(N'-methyl-N-nitrocarbamimidoyl)carbamate Traditional Name: N-[(2-chlorothiazol-5-yl)methyl]-N-(N'-methyl-N-nitro-amidino)carbamic acid butyl ester Formula: C11H16ClN5O4S MolecularWeight: 349.79384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(CC1=CN=C(S1)Cl)C(=NC)N[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)N(CC1=CN=C(S1)Cl)C(=NC)N[N+](=O)[O-]

InChI

InChI=1S/C11H16ClN5O4S/c1-3-4-5-21-11(18)16(10(13-2)15-17(19)20)7-8-6-14-9(12)22-8/h6H,3-5,7H2,1-2H3,(H,13,15)