3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(furan-2-ylmethyl)thiourea Openeye Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(2-furylmethyl)thiourea CAS Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(2-furanylmethyl)thiourea IUPAC Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-(4-ethoxybenzyl)-1-(2-furfuryl)thiourea Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Br

InChI

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