3-(4-bromophenyl)-1-(oxolan-2-ylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 3-(4-bromophenyl)-1-(oxolan-2-ylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 3-(4-bromophenyl)-1-(tetrahydrofuran-2-ylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 3-(4-bromophenyl)-1-(2-oxolanylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 3-(4-bromophenyl)-1-(oxolan-2-ylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 3-(4-bromophenyl)-1-(tetrahydrofurfuryl)-1-(2,4,5-trimethoxybenzyl)thiourea Formula: C22H27BrN2O4S MolecularWeight: 495.42978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN(CC2CCCO2)C(=S)NC3=CC=C(C=C3)Br)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CN(CC2CCCO2)C(=S)NC3=CC=C(C=C3)Br)OC)OC

InChI

InChI=1S/C22H27BrN2O4S/c1-26-19-12-21(28-3)20(27-2)11-15(19)13-25(14-18-5-4-10-29-18)22(30)24-17-8-6-16(23)7-9-17/h6-9,11-12,18H,4-5,10,13-14H2,1-3H3,(H,24,30)