1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)-1-(oxolan-2-ylmethyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N(CC2CCCO2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N(CC2CCCO2)CC3=CC(=CC=C3)Br

InChI

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