1-methyl-3-[2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanoylamino]thiourea

Systemtic Name: 1-methyl-3-[2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanoylamino]thiourea Openeye Name: 1-[[2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanylacetyl]amino]-3-methyl-thiourea CAS Name: 1-methyl-3-[[2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-[[2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetyl]amino]-3-methylthiourea Traditional Name: 1-[[2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]acetyl]amino]-3-methyl-thiourea Formula: C15H18N6O3S2 MolecularWeight: 394.47182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SCC(=O)NNC(=S)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SCC(=O)NNC(=S)NC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O3S2/c1-10-17-13(21(23)24)14(20(10)8-11-6-4-3-5-7-11)26-9-12(22)18-19-15(25)16-2/h3-7H,8-9H2,1-2H3,(H,18,22)(H2,16,19,25)