1-[(2S)-3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl]-3-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 1-[(2S)-3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl]-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-[(1S)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-(p-tolylmethyl)thiourea CAS Name: 1-[(2S)-3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-[(2S)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-[(1S)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-(4-methylbenzyl)thiourea Formula: C18H26N4S MolecularWeight: 330.49084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC(CN2C=CC=N2)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N[C@H](CN2C=CC=N2)C(C)(C)C

InChI

InChI=1S/C18H26N4S/c1-14-6-8-15(9-7-14)12-19-17(23)21-16(18(2,3)4)13-22-11-5-10-20-22/h5-11,16H,12-13H2,1-4H3,(H2,19,21,23)/t16-/m1/s1