2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(carbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(carbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(carbamothioylamino)-4-oxo-butanoate CAS Name: 4-(carbamothioylamino)-4-oxobutanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-(carbamothioylamino)-4-oxobutanoate Traditional Name: 4-keto-4-thioureido-butyric acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C11H15N5O5S MolecularWeight: 329.3323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CCC(=O)NC(=S)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CCC(=O)NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C11H15N5O5S/c1-7-13-6-9(16(19)20)15(7)4-5-21-10(18)3-2-8(17)14-11(12)22/h6H,2-5H2,1H3,(H3,12,14,17,22)