1-(4-butylphenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=CC(=N2)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=CC(=N2)C)C

InChI

InChI=1S/C18H25N5OS/c1-4-5-6-15-7-9-16(10-8-15)19-18(25)21-20-17(24)12-23-14(3)11-13(2)22-23/h7-11H,4-6,12H2,1-3H3,(H,20,24)(H2,19,21,25)