1-[2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetyl]amino]-1-methyl-thiourea CAS Name: 1-[[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-1-methylthiourea Traditional Name: 3-benzyl-1-[[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetyl]amino]-1-methyl-thiourea Formula: C21H26ClN3O2S MolecularWeight: 419.96804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NN(C)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NN(C)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C21H26ClN3O2S/c1-14(2)17-11-18(22)15(3)10-19(17)27-13-20(26)24-25(4)21(28)23-12-16-8-6-5-7-9-16/h5-11,14H,12-13H2,1-4H3,(H,23,28)(H,24,26)