1-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(1,1-dimethyl-3-oxo-butyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(2-methyl-4-oxopentan-2-yl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(2-methyl-4-oxopentan-2-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(3-keto-1,1-dimethyl-butyl)-3-(4-nitrophenyl)thiourea Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(C)(C)NC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3S/c1-9(17)8-13(2,3)15-12(20)14-10-4-6-11(7-5-10)16(18)19/h4-7H,8H2,1-3H3,(H2,14,15,20)