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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC(=CC=C2)Br)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC(=CC=C2)Br)CC3=CC=CO3

InChI

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