1-[[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-[[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-(2-methylpropyl)thiourea Openeye Name: 1-isobutyl-3-[[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]thiourea CAS Name: 1-[[[4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-3-(2-methylpropyl)thiourea IUPAC Name: 1-[[4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoyl]amino]-3-(2-methylpropyl)thiourea Traditional Name: 1-isobutyl-3-[[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]thiourea Formula: C17H22N6O3S MolecularWeight: 390.45998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3S/c1-11(2)9-18-17(27)20-19-16(24)14-6-4-13(5-7-14)10-22-12(3)8-15(21-22)23(25)26/h4-8,11H,9-10H2,1-3H3,(H,19,24)(H2,18,20,27)