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

Systemtic Name: 1-[[3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]amino]-3-isopropyl-thiourea CAS Name: 1-[[[3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]amino]-3-isopropyl-thiourea Formula: C21H22ClN5OS MolecularWeight: 427.95028

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)Cl)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5OS/c1-14(2)23-21(29)25-24-20(28)18-13-27(12-15-6-4-3-5-7-15)26-19(18)16-8-10-17(22)11-9-16/h3-11,13-14H,12H2,1-2H3,(H,24,28)(H2,23,25,29)