1-(4-butan-2-ylphenyl)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-butan-2-ylphenyl)thiourea Traditional Name: 1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-(4-sec-butylphenyl)thiourea Formula: C23H28N4S MolecularWeight: 392.56022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H28N4S/c1-5-16(2)20-11-13-21(14-12-20)24-23(28)25-22-17(3)26-27(18(22)4)15-19-9-7-6-8-10-19/h6-14,16H,5,15H2,1-4H3,(H2,24,25,28)