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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(=S)N)NC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N(C(=S)N)NC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N6O3S/c1-10-5-4-6-13(9-10)21(16(17)26)19-14(23)7-8-20-12(3)15(22(24)25)11(2)18-20/h4-6,9H,7-8H2,1-3H3,(H2,17,26)(H,19,23)