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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 5-(carbamothioylamino)-5-oxidanylidene-pentanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 5-(carbamothioylamino)-5-oxo-pentanoate CAS Name: 5-(carbamothioylamino)-5-oxopentanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 5-(carbamothioylamino)-5-oxopentanoate Traditional Name: 5-keto-5-thioureido-valeric acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C12H17N5O5S MolecularWeight: 343.35888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O5S/c1-8-14-7-10(17(20)21)16(8)5-6-22-11(19)4-2-3-9(18)15-12(13)23/h7H,2-6H2,1H3,(H3,13,15,18,23)