3-(1-methyl-5-nitro-imidazol-2-yl)-2-oxidanylidene-N-(phenylmethyl)imidazolidine-1-carbothioamide

Systemtic Name: 3-(1-methyl-5-nitro-imidazol-2-yl)-2-oxidanylidene-N-(phenylmethyl)imidazolidine-1-carbothioamide Openeye Name: N-benzyl-3-(1-methyl-5-nitro-imidazol-2-yl)-2-oxo-imidazolidine-1-carbothioamide CAS Name: 3-(1-methyl-5-nitro-2-imidazolyl)-2-oxo-N-(phenylmethyl)-1-imidazolidinecarbothioamide IUPAC Name: N-benzyl-3-(1-methyl-5-nitroimidazol-2-yl)-2-oxoimidazolidine-1-carbothioamide Traditional Name: N-benzyl-2-keto-3-(1-methyl-5-nitro-imidazol-2-yl)imidazolidine-1-carbothioamide Formula: C15H16N6O3S MolecularWeight: 360.39094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1N2CCN(C2=O)C(=S)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1N2CCN(C2=O)C(=S)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O3S/c1-18-12(21(23)24)10-16-13(18)19-7-8-20(15(19)22)14(25)17-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,17,25)