1-[[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]-3-isopropyl-thiourea CAS Name: 1-[[[3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]-3-isopropyl-thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-15(2)23-22(30)25-24-21(28)19-14-27(13-16-7-5-4-6-8-16)26-20(19)17-9-11-18(29-3)12-10-17/h4-12,14-15H,13H2,1-3H3,(H,24,28)(H2,23,25,30)