1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(phenylmethyl)thiourea

Systemtic Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-benzyl-1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Formula: C16H20N6O3S MolecularWeight: 376.4334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NN(CC2=CC=CC=C2)C(=S)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NN(CC2=CC=CC=C2)C(=S)N)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3S/c1-11-15(22(24)25)12(2)20(18-11)9-8-14(23)19-21(16(17)26)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H2,17,26)(H,19,23)