1-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-phenethyl-thiourea Openeye Name: 1-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-3-phenethyl-thiourea CAS Name: 1-[[[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-3-phenethylthiourea IUPAC Name: 1-[[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-3-phenethylthiourea Traditional Name: 1-[[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-3-phenethyl-thiourea Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NNC(=S)NCCC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NNC(=S)NCCC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3S/c1-15-20(28(30)31)16(2)27(26-15)14-18-9-6-10-19(13-18)21(29)24-25-22(32)23-12-11-17-7-4-3-5-8-17/h3-10,13H,11-12,14H2,1-2H3,(H,24,29)(H2,23,25,32)