1-(2-ethyl-6-methyl-phenyl)-3-[4-(4-methylphenoxy)butanoylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(4-methylphenoxy)butanoylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(4-methylphenoxy)butanoylamino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[4-(4-methylphenoxy)-1-oxobutyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[4-(4-methylphenoxy)butanoylamino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(4-methylphenoxy)butanoylamino]thiourea Formula: C21H27N3O2S MolecularWeight: 385.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCCOC2=CC=C(C=C2)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCCOC2=CC=C(C=C2)C)C

InChI

InChI=1S/C21H27N3O2S/c1-4-17-8-5-7-16(3)20(17)22-21(27)24-23-19(25)9-6-14-26-18-12-10-15(2)11-13-18/h5,7-8,10-13H,4,6,9,14H2,1-3H3,(H,23,25)(H2,22,24,27)