1-(4-butylphenyl)-3-[3-(2-methylphenoxy)propanoylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[3-(2-methylphenoxy)propanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[3-(2-methylphenoxy)propanoylamino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[3-(2-methylphenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[3-(2-methylphenoxy)propanoylamino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[3-(2-methylphenoxy)propanoylamino]thiourea Formula: C21H27N3O2S MolecularWeight: 385.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCOC2=CC=CC=C2C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCOC2=CC=CC=C2C

InChI

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