1-[(3-bromophenyl)methyl]-3-(2-methoxy-4-methyl-phenyl)-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[(3-bromophenyl)methyl]-3-(2-methoxy-4-methyl-phenyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[(3-bromophenyl)methyl]-3-(2-methoxy-4-methyl-phenyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(3-bromophenyl)methyl]-3-(2-methoxy-4-methylphenyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[(3-bromophenyl)methyl]-3-(2-methoxy-4-methylphenyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-(3-bromobenzyl)-3-(2-methoxy-4-methyl-phenyl)-1-(tetrahydrofurfuryl)thiourea Formula: C21H25BrN2O2S MolecularWeight: 449.4044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CC(=CC=C3)Br)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C21H25BrN2O2S/c1-15-8-9-19(20(11-15)25-2)23-21(27)24(14-18-7-4-10-26-18)13-16-5-3-6-17(22)12-16/h3,5-6,8-9,11-12,18H,4,7,10,13-14H2,1-2H3,(H,23,27)