1-(3,4-dimethylphenyl)-3-[2-(1-phenylpyrazol-4-yl)ethanoylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[2-(1-phenylpyrazol-4-yl)ethanoylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiourea Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N5OS/c1-14-8-9-17(10-15(14)2)22-20(27)24-23-19(26)11-16-12-21-25(13-16)18-6-4-3-5-7-18/h3-10,12-13H,11H2,1-2H3,(H,23,26)(H2,22,24,27)