1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-phenethyl-thiourea

Systemtic Name: 1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-phenethyl-thiourea Openeye Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-phenethyl-thiourea CAS Name: 1-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]-3-phenethylthiourea IUPAC Name: 1-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-3-phenethylthiourea Traditional Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-phenethyl-thiourea Formula: C18H26N4S MolecularWeight: 330.49084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CC=N1)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(CN1C=CC=N1)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H26N4S/c1-18(2,3)16(14-22-13-7-11-20-22)21-17(23)19-12-10-15-8-5-4-6-9-15/h4-9,11,13,16H,10,12,14H2,1-3H3,(H2,19,21,23)