1-[(3-bromophenyl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-phenyl)thiourea

Systemtic Name: 1-[(3-bromophenyl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[(3-bromophenyl)methyl]-1-(2-furylmethyl)-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[(3-bromophenyl)methyl]-1-(2-furanylmethyl)-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[(3-bromophenyl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-(3-bromobenzyl)-1-(2-furfuryl)-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C21H21BrN2O2S MolecularWeight: 445.37264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N(CC2=CC(=CC=C2)Br)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N(CC2=CC(=CC=C2)Br)CC3=CC=CO3

InChI

InChI=1S/C21H21BrN2O2S/c1-15-8-9-20(25-2)19(11-15)23-21(27)24(14-18-7-4-10-26-18)13-16-5-3-6-17(22)12-16/h3-12H,13-14H2,1-2H3,(H,23,27)