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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-[(3-methoxyphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(1-m-anisylpyrazol-4-yl)-3-(4-sec-butylphenyl)thiourea Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H26N4OS/c1-4-16(2)18-8-10-19(11-9-18)24-22(28)25-20-13-23-26(15-20)14-17-6-5-7-21(12-17)27-3/h5-13,15-16H,4,14H2,1-3H3,(H2,24,25,28)