1-(3-chlorophenyl)-3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]thiourea CAS Name: 1-(3-chlorophenyl)-3-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]thiourea Traditional Name: 1-(3-chlorophenyl)-3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]thiourea Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NNC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NNC(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN5OS/c1-13-18(14(2)26(25-13)17-9-4-3-5-10-17)12-19(27)23-24-20(28)22-16-8-6-7-15(21)11-16/h3-11H,12H2,1-2H3,(H,23,27)(H2,22,24,28)