1-(2-methylphenyl)-3-(4-octoxyphenyl)thiourea

Systemtic Name: 1-(2-methylphenyl)-3-(4-octoxyphenyl)thiourea Openeye Name: 1-(4-octoxyphenyl)-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-(4-octoxyphenyl)thiourea IUPAC Name: 1-(2-methylphenyl)-3-(4-octoxyphenyl)thiourea Traditional Name: 1-(4-octoxyphenyl)-3-(o-tolyl)thiourea Formula: C22H30N2OS MolecularWeight: 370.5514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C

InChI

InChI=1S/C22H30N2OS/c1-3-4-5-6-7-10-17-25-20-15-13-19(14-16-20)23-22(26)24-21-12-9-8-11-18(21)2/h8-9,11-16H,3-7,10,17H2,1-2H3,(H2,23,24,26)