1-(3-methylbutyl)-3-[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]thiourea Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C17H23N5OS/c1-12(2)8-10-18-17(24)21-20-16(23)14-4-6-15(7-5-14)22-13(3)9-11-19-22/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,23)(H2,18,21,24)