1-(3-methyl-1-oxidanyl-butan-2-yl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(3-methyl-1-oxidanyl-butan-2-yl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[1-(hydroxymethyl)-2-methyl-propyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-(1-hydroxy-3-methylbutan-2-yl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-(1-hydroxy-3-methylbutan-2-yl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(2-methyl-1-methylol-propyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(CO)NC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O3S2/c1-7(2)10(6-18)14-12(21)16-13-15-9-4-3-8(17(19)20)5-11(9)22-13/h3-5,7,10,18H,6H2,1-2H3,(H2,14,15,16,21)