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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea Openeye Name: 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: 1-(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)-3-(4-sec-butylphenyl)thiourea Formula: C24H30N4OS MolecularWeight: 422.5862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-6-16(2)20-10-12-21(13-11-20)25-24(30)26-23-17(3)27-28(18(23)4)15-19-8-7-9-22(14-19)29-5/h7-14,16H,6,15H2,1-5H3,(H2,25,26,30)